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Compound Name:
I
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1,646 Hit.
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Name
Formula / Structure
ExactMass
ID
Isomarticin
5 spectra
C18H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.07941
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000160
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000161
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000162
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000163
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000164
iso-Roridine E
10 spectra
C29H38O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
514.25665
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000520
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000521
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000522
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000523
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000524
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000525
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000526
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000527
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000528
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000529
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
Indapamide
5 spectra
C16H16ClN3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
365.06009
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU111101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU111102
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU111103
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU111104
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU111105
Imidocarb
12 spectra
C19H20N6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.16986
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU117001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU117002
LC-ESI-QTOF; MS2; CE: Ramp 22.6-33.9 eV; R=35000; [M+H]+
AU117003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU117004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU117005
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU117006
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU117007
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU117008
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU117009
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
AU117010
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
AU117011
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+
AU117030
Imipramine
1 spectrum
C19H24N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.19394
LC-ESI-QTOF; MS2; CE: RAMP 20.9-31.3 eV; R=35000; [M+H]+
AU150806
Irgarol-descyclopropyl
5 spectra
C8H15N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10481
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU204601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU204602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU204603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU204604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU204605
Iminostilbene
4 spectra
C14H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.08914
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU204802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU204803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU204804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU204805
Imidacloprid-urea
5 spectra
C9H10ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.05124
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU204901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU204902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU204903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU204904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU204905
Irbesartan
14 spectra
C25H28N6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.23245
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU209402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU209403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU209404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU209405
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU209407
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
AU209408
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
AU209409
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
AU209410
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
AU209411
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU209451
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU209452
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU209453
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU209454
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-
AU209455
Imidacloprid
6 spectra
C9H10ClN5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.05231
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU303601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU303602
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: 10 eV; R=35000; [M-H]-
AU303651
Isoproturon
5 spectra
C12H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.14191
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU351801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU351802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU351803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU351804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU351805
Irgarol
5 spectra
C11H19N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.13612
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU400801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU400802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU400803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU400804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU400805
Isoleucine
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
AU515307
Isocorydine
5 spectra
C20H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.16272
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00399
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00413
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00427
Ipriflavone
5 spectra
C18H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.10995
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01759
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01770
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01781
Icariin
7 spectra
C33H40O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
676.23669
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01808
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01818
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01828
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01838
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML01848
LC-ESI-QTOF; MS; POSITIVE
BML81450
LC-ESI-QTOF; MS; NEGATIVE
BML81451
Inosine
3 spectra
C10H12N4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.08078
LC-ESI-QTOF; MS; POSITIVE
BML81455
LC-ESI-QTOF; MS; NEGATIVE
BML81456
LC-APCI-QTOF; MS; NEGATIVE
BML81458
Inosine 5'-monophosphate
2 spectra
C10H13N4O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.04709
LC-ESI-QTOF; MS; POSITIVE
BML81460
LC-ESI-QTOF; MS; NEGATIVE
BML81461
Ipriflavone
5 spectra
C18H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.10995
LC-ESI-QTOF; MS; POSITIVE
BML81465
LC-APCI-QTOF; MS; POSITIVE
BML81467
Isoalantolactone
2 spectra
C15H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.14633
LC-ESI-QTOF; MS; POSITIVE
BML81470
LC-APCI-QTOF; MS; POSITIVE
BML81472
Isocorydine
5 spectra
C20H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.16272
LC-ESI-QTOF; MS; POSITIVE
BML81475
LC-APCI-QTOF; MS; POSITIVE
BML81477
Isomaltose
3 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.11621
LC-ESI-QTOF; MS; POSITIVE
BML81480
LC-ESI-QTOF; MS; NEGATIVE
BML81481
LC-APCI-QTOF; MS; NEGATIVE
BML81483
Isosafrole
1 spectrum
C10H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.06808
LC-APCI-QTOF; MS; POSITIVE
BML81487
Isohumulone
1 spectrum
C21H30O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.20929
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003208
Isoxanthohumol
4 spectra
C21H22O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.14670
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS003209
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003210
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS003211
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003212
Isorhoifolin
6 spectra
C27H30O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
578.16357
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003224
LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
BS003225
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003226
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003227
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
BS003228
LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
BS003229
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