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Name
Formula / Structure
ExactMass
ID
T-2 tetraol
10 spectra
C15H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.14163
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000627
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
HB002953
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
HB002955
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000628
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000629
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000630
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
HB002954
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
HB002956
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000631
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
HB002957
T-2 Toxin
10 spectra
C24H34O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
466.22028
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000233
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000238
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000234
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000239
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000235
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000240
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000236
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000241
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000237
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000242
T-MUUROLOL
1 spectrum
C15H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.19836
EI-B; MS
JP010682
T2 tetraol
2 spectra
C15H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.14160
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
HB003513
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
HB003514
T2 TOXIN
1 spectrum
C24H34O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
466.22028
EI-B; MS
JP011915
T2 Toxin
5 spectra
C24H34O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
466.53320
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+NH4]+
NGA02615
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+NH4]+
NGA02614
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+
NGA02613
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+NH4]+
NGA02616
LC-ESI-QQQ; MS; [M+H]+
CB000453
Tabersonine
12 spectra
C21H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.43500
LC-ESI-QTOF; MS2
PR300064
LC-ESI-QTOF; MS2
PR300069
LC-ESI-QTOF; MS2
PR300074
LC-ESI-QTOF; MS2
PR300079
LC-ESI-QTOF; MS2
PR300084
LC-ESI-QTOF; MS2
PR300089
LC-ESI-QTOF; MS2
PR300094
LC-ESI-QTOF; MS2
PR300099
LC-ESI-QTOF; MS2
PR300104
LC-ESI-QTOF; MS2
PR300109
LC-ESI-QTOF; MS2
PR300114
LC-ESI-QTOF; MS2
PR310588
Tacrine
6 spectra
C13H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.11571
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU049901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU049902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU049903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU049904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU049905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU049906
Talatizamine
5 spectra
C24H39NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.58209
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA01490
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA01491
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA01492
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA01489
LC-ESI-QQQ; MS; [M+H]+
CB000181
TALBUTAL
1 spectrum
C11H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.11609
CI-B; MS
JP003187
Tamoxifen
13 spectra
C26H29NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
371.22491
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU107301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU107302
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM861203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU107303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU107304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU107305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU107306
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU271501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU271502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU271503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU271504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU271505
LC-ESI-QTOF; MS2; CE: Ramp 23.0-34.6 eV; R=35000; [M+H]+
AU271506
Tanegoside (Not validated)
1 spectrum
C26H34O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
538.54602
LC-ESI-QTOF; MS2
PR309176
Tanshinone II
1 spectrum
C19H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.35349
LC-ESI-QQQ; MS; [M+H]+
CB000409
TARTARIC ACID-TETRA-TMS
1 spectrum
C16H38O6Si4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
438.17456
EI-B; MS
JP002758
Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic aci...
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.08600
LC-ESI-QTOF; MS2
PT207560
Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic aci...
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.08600
LC-ESI-QQ; MS2
PS075607
Tartronic acid
5 spectra
C3H4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.00587
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001923
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001924
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001925
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001926
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001927
tau-Fluvalinate
6 spectra
C26H22ClF3N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
502.12711
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU037951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU037952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU037953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU037954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU037955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU037956
Taurine
30 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.01466
GC-EI-TOF; MS; 3 TMS; BP:147
KZ000076
GC-EI-TOF; MS; 3 TMS; BP:73
PR010028
GC-EI-TOF; MS; n TMS; RT:631.412 sec
OUF00470
LC-ESI-ITFT; MS2; m/z:120.07; POS
KNA00034
LC-ESI-ITFT; MS2; m/z:124.01; NEG
KNA00480
LC-ESI-ITFT; MS2; m/z:124.01; NEG
KNA00669
LC-ESI-ITFT; MS2; m/z:126.02; POS
KNA00035
LC-ESI-ITFT; MS2; m/z:126.02; POS
KNA00273
LC-ESI-ITFT; MS2; m/z:132.07; POS
KNA00036
LC-ESI-ITFT; MS2; m/z:148.06; POS
KNA00274
LC-ESI-ITFT; MS2; m/z:249.02; NEG
KNA00481
LC-ESI-ITFT; MS2; m/z:249.02; NEG
KNA00670
LC-ESI-ITFT; MS2; m/z:251.04; POS
KNA00275
LC-ESI-ITFT; MS2; m/z:499.05; NEG
KNA00482
LC-ESI-ITFT; MS2; m/z:499.05; NEG
KNA00671
LC-ESI-ITFT; MS; NEG
KNA00479
LC-ESI-ITFT; MS; NEG
KNA00668
LC-ESI-ITFT; MS; POS
KNA00033
LC-ESI-ITFT; MS; POS
KNA00272
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO004077
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001872
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO004078
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001873
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO004079
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001874
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO004080
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001875
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO004081
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001876
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100200
Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulf...
1 spectrum
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.14700
LC-ESI-QTOF; MS2
PT103470
Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulf...
5 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.14700
LC-ESI-QQ; MS2
PS034701
LC-ESI-QQ; MS2
PS034702
LC-ESI-QQ; MS2
PS034703
LC-ESI-QQ; MS2
PS034705
LC-ESI-QQ; MS2
PS034707
Tauro 3a,12a-(OH)2-5b-cholanic acid
5 spectra
C26H45NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.29675
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
NU000784
LC-ESI-TOF; MS; NEGATIVE; In source decay -150 V
NU000785
LC-ESI-TOF; MS; NEGATIVE; In source decay -30 V
NU000781
LC-ESI-TOF; MS; NEGATIVE; In source decay -60 V
NU000782
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
NU000783
Tauro 3a,7a-(OH)2-5b-cholanic acid
3 spectra
C26H45NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.29675
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
NU000774
LC-ESI-TOF; MS; NEGATIVE; In source decay -150 V
NU000775
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
NU000773
Tauro 3a-OH-5b-cholanic acid
4 spectra
C26H45NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
483.30185
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
NU000769
LC-ESI-TOF; MS; NEGATIVE; In source decay -150 V
NU000770
LC-ESI-TOF; MS; NEGATIVE; In source decay -60 V
NU000767
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
NU000768
Taurochenodeoxycholate
3 spectra
C26H45NO6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.29681
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP005801
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP005802
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP005803
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