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Name
Formula / Structure
ExactMass
ID
IAA-Val
5 spectra
C15H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.13174
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
CE000061
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
CE000062
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
CE000063
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
CE000064
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
CE000065
IAA-Val , Indole-3-acetyl-L-valine
3 spectra
C15H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.13174
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
PB005788
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
PB005789
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
PB005790
Ibuprofen
27 spectra
C13H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.13068
GC-EI-TOF; MS; 1 TMS; BP:160
KZ000037
GC-EI-TOF; MS; 1 TMS; BP:160
KZ000141
GC-EI-TOF; MS; 1 TMS; BP:73
PR010166
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA020308
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA020358
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA020302
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA020352
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA020309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA020303
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA020314
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA020364
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA020301
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA020351
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA020310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA020304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA020311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA020305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA020312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA020306
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA020307
LC-ESI-Q; MS; NEG; 15 V
WA002727
LC-ESI-Q; MS; NEG; 30 V
WA002726
LC-ESI-Q; MS; NEG; 45 V
WA002725
LC-ESI-Q; MS; NEG; 60 V, 90 V
WA002724
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU128351
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU128352
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU234557
Icaridin
18 spectra
C12H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.16780
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF420703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF420701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF420704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF420702
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU045901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU045902
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM822901
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM882501
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU045903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU045904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU045905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU045906
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU287201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU287202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU287203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU287204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU287205
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
AU287206
Icariin
48 spectra
C33H40O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
676.23669
LC-ESI-ITTOF; MS2; [M+CH3COOH-H]-
TY000210
LC-ESI-ITTOF; MS2; [M+H]+
TY000207
LC-ESI-ITTOF; MS; [M+CH3COOH-H]-
TY000209
LC-ESI-ITTOF; MS; [M+H]+
TY000037
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA03138
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
NGA05041
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA03139
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
NGA05040
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA03140
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
NGA05039
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA03137
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
NGA05042
LC-ESI-QTOF; MS
BS003780
LC-ESI-QTOF; MS2
PR303744
LC-ESI-QTOF; MS2
PR303747
LC-ESI-QTOF; MS2
PR303750
LC-ESI-QTOF; MS2
PR303753
LC-ESI-QTOF; MS2
PR303756
LC-ESI-QTOF; MS2
PR303759
LC-ESI-QTOF; MS2
PR303762
LC-ESI-QTOF; MS2
PR303765
LC-ESI-QTOF; MS2
PR303768
LC-ESI-QTOF; MS2
PR303771
LC-ESI-QTOF; MS2
PR303774
LC-ESI-QTOF; MS2
PR303777
LC-ESI-QTOF; MS2
PR307639
LC-ESI-QTOF; MS2
PR307642
LC-ESI-QTOF; MS2
PR307644
LC-ESI-QTOF; MS2
PR307646
LC-ESI-QTOF; MS2
PR307649
LC-ESI-QTOF; MS2
PR307652
LC-ESI-QTOF; MS2
PR307655
LC-ESI-QTOF; MS2
PR307660
LC-ESI-QTOF; MS2
PR307665
LC-ESI-QTOF; MS2
PR308725
LC-ESI-QTOF; MS2
PR310469
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01808
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01838
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01818
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML01848
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01828
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS003781
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003782
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS003783
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003784
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
BS003779
LC-ESI-QTOF; MS; NEGATIVE
BML81451
LC-ESI-QTOF; MS; POSITIVE
BML81450
Icosanoic acid
1 spectrum
C20H40O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.30283
GC-EI-TOF; MS; n TMS; RT:926.071 sec
OUF00274
Idaverine
2 spectra
C24H39N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
417.29913
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU108504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU108505
Ideain
9 spectra
[C21H21O11]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
449.10840
LC-ESI-QTOF; MS
PR020047
LC-ESI-QTOF; MS2; CE:30 V; [M-2H+H2O]-
PR040247
LC-ESI-QTOF; MS2; CE:30 V; [M-2H]-
PR040246
LC-ESI-QTOF; MS2; CE:30 V; [M]+
PR040249
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H+H2O]-
PR040245
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
PR040244
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
PR100787
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
PR040248
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
PR100343
Ideain chloride, 3-(Galactosyloxy)-3',4',5,7-tetra...
2 spectra
[C21H21O11]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
449.38800
LC-ESI-QTOF; MS2
PT108350
LC-ESI-QTOF; MS2
PT208350
Ifenprodil
5 spectra
C21H27NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.20419
LC-ESI-Q; MS; POS; 15 V, 30 V
WA002698
LC-ESI-Q; MS; POS; 45 V
WA002697
LC-ESI-Q; MS; POS; 60 V
WA002696
LC-ESI-Q; MS; POS; 75 V
WA002695
LC-ESI-Q; MS; POS; 90 V
WA002694
Ifosfamide
26 spectra
C7H15Cl2N2O2P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02481
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA268308
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA268302
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA268309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA268303
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA268314
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA268301
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA268310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA268304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA268311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA268305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA268312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA268306
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA268313
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA268307
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU089501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU089502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU089503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU089504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU089505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU089506
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU272301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU272302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU272303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU272304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU272305
LC-ESI-QTOF; MS2; CE: Ramp 20.2-30.3 eV; R=35000; [M+H]+
AU272306
Ilepatril
12 spectra
C22H28N2O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.17191
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU133801
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU133851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU133802
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU133852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU133803
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU133853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU133804
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU133854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU133805
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU133855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU133806
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU133856
Imatinib
25 spectra
C29H31N7O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
493.25900
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ363307
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ363357
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ363308
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ363358
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ363301
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ363351
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ363309
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
EQ363359
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ363302
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ363352
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM852103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ363303
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ363353
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ363304
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ363354
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ363305
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ363355
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ363306
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ363356
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU274201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU274202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU274203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU274204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU274205
LC-ESI-QTOF; MS2; CE: Ramp 25.5-38.2 eV; R=35000; [M+H]+
AU274206
Imazalil
18 spectra
C14H14Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.04831
GC-EI-Q; MS; Positive; M+*
MSJ01105
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF400903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF400901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF400904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF400902
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU092401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU092402
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM878201
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU092403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU092404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU092405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU092406
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU285801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU285802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU285803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU285804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU285805
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
AU285806
Imazamethabenz-methyl
4 spectra
C16H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.14740
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
KW106303
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
KW106302
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
KW106301
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
KW106304
Imazamox
39 spectra
C15H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.13760
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA293908
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA293958
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA293902
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA293952
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA293909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA293959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA293903
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA293953
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA293914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA293901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA293951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA293910
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA293960
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA293904
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA293954
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA293911
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA293961
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA293905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA293955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA293912
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA293962
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA293906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA293956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
EA293963
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA293913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA293907
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA293957
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU028001
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU028051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU028002
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU028052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU028003
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU028053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU028004
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU028054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU028005
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU028055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU028006
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU028056
Imazapic
12 spectra
C14H17N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
275.12701
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU061601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU061651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU061602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU061652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU061603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU061653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU061604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU061654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU061605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU061655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU061606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU061656
Imazapyr
5 spectra
C13H15N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
261.11133
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU263001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU263002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU263003
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU263005
LC-ESI-QTOF; MS2; CE: Ramp 20.2-30.4 eV; R=35000; [M+H]+
AU263006
Imazaquin
33 spectra
C17H17N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.12698
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ371107
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
EQ371157
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ371108
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
EQ371158
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU125201
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU125251
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ371101
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ371151
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ371109
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU125202
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU125252
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ371102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ371152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU125203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU125253
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ371103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ371153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU125204
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU125254
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ371104
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ371154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU125205
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU125255
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ371105
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ371155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU125206
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU125256
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ371106
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ371156
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
WA000188
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
WA000189
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
WA000190
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
WA000191
Imazethapyr
12 spectra
C15H19N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.14261
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU027401
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU027451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU027402
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU027452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU027403
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU027453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU027404
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU027454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU027405
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU027455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU027406
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU027456
Imazosulfuron
8 spectra
C14H13ClN6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.03571
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 30 V
MSJ00248
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00242
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00243
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00244
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00245
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00246
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSJ00247
ESI-QTOF; MS; NEGATIVE
MSJ00241
Imidacloprid
48 spectra
C9H10ClN5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.05231
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA270908
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA270958
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA270902
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA270952
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA270909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA270959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA270903
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA270953
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
EA270914
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA270964
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA270901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA270951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA270910
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA270904
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA270954
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA270911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA270905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA270955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA270912
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA270906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA270956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
EA270913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA270907
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU006001
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU006051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU006002
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU006052
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM839401
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM839454
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU006003
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU006053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU006054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU006005
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU006055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU006006
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU006056
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
WA000025
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
WA000026
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
WA000027
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU303601
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU232257
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU303651
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU303602
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU232258
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU303603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU303604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU303605
LC-ESI-QTOF; MS2; CE: Ramp 20.0-30.0 eV; R=35000; [M+H]+
AU303606
Imidacloprid urea
1 spectrum
C9H10ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.05124
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM846301
Imidacloprid-guanidine
12 spectra
C9H11ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.06721
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ305901
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ305902
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ305903
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ305904
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ305905
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ305906
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU259201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU259202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU259203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU259204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU259205
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.6 eV; R=35000; [M+H]+
AU259206
Imidacloprid-urea
25 spectra
C9H10ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.05119
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA295608
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA295602
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA295609
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA295603
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
EA295614
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA295601
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA295610
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA295604
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA295611
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA295605
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA295612
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA295606
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
EA295613
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA295607
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU204901
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU259101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU204902
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU259102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU204903
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU259103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU204904
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU259104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU204905
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU259105
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.7 eV; R=35000; [M+H]+
AU259106
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