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Name
Formula / Structure
ExactMass
ID
E-3,4,5'-Trihydroxy-3'-glucopyranosylstilbene
1 spectrum
C20H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.12637
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100927
E-64
16 spectra
C15H27N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
357.20123
LC-ESI-IT; MS2; m/z: 358; [M+H]+
KO008950
LC-ESI-IT; MS3; m/z: 358/114; [M+H]+
KO008955
LC-ESI-IT; MS3; m/z: 358/244; [M+H]+
KO008954
LC-ESI-IT; MS3; m/z: 358/298; [M+H]+
KO008953
LC-ESI-IT; MS3; m/z: 358/330; [M+H]+
KO008952
LC-ESI-IT; MS3; m/z: 358/341; [M+H]+
KO008951
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO002844
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000724
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO002845
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000725
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO002846
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000726
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO002847
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000727
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO002848
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000728
E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosyl...
8 spectra
C20H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.38699
LC-ESI-QQ; MS2
PS122901
LC-ESI-QQ; MS2
PS122902
LC-ESI-QQ; MS2
PS122903
LC-ESI-QQ; MS2
PS122907
LC-ESI-QQ; MS2
PS122908
LC-ESI-QQ; MS2
PS122909
LC-ESI-QQ; MS2
PS122910
LC-ESI-QQ; MS2
PS122911
E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosyl...
1 spectrum
C20H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.38699
LC-ESI-QTOF; MS2
PT112290
E-Isorhapontin, (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(...
1 spectrum
C21H24O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.41400
LC-ESI-QTOF; MS2
PT112300
E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-gluc...
6 spectra
C21H24O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.41400
LC-ESI-QQ; MS2
PS123001
LC-ESI-QQ; MS2
PS123002
LC-ESI-QQ; MS2
PS123003
LC-ESI-QQ; MS2
PS123007
LC-ESI-QQ; MS2
PS123008
LC-ESI-QQ; MS2
PS123009
E-Resveratrol trimethyl ether
13 spectra
C17H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.32800
LC-ESI-QTOF; MS2
PR304276
LC-ESI-QTOF; MS2
PR304277
LC-ESI-QTOF; MS2
PR304278
LC-ESI-QTOF; MS2
PR304279
LC-ESI-QTOF; MS2
PR304280
LC-ESI-QTOF; MS2
PR304281
LC-ESI-QTOF; MS2
PR304282
LC-ESI-QTOF; MS2
PR304283
LC-ESI-QTOF; MS2
PR304284
LC-ESI-QTOF; MS2
PR304285
LC-ESI-QTOF; MS2
PR304286
LC-ESI-QTOF; MS2
PR304287
LC-ESI-QTOF; MS2
PR310416
Ebastin
7 spectra
C32H39NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
469.29807
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM849302
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU251201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU251202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU251203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU251204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU251205
LC-ESI-QTOF; MS2; CE: Ramp 25.0-37.5 eV; R=35000; [M+H]+
AU251206
Eburnamonine
2 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.17322
LC-APCI-QTOF; MS; POSITIVE
BML81152
LC-ESI-QTOF; MS; POSITIVE
BML81150
Ecdysterone 22-O-benzoate
9 spectra
C34H48O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.75690
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA01707
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
NGA04350
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA01706
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
NGA04351
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA01705
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
NGA04352
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA01708
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
NGA04349
LC-ESI-QQQ; MS; [M+H]+
CB000404
Ecgonine-methyl-ester (EME)
14 spectra
C10H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.12083
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ361907
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ361908
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ361901
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ361909
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ361902
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ361903
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ361904
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ361905
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ361906
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU161801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU161802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU161803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU161804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU161805
Ecgoninemethylester
6 spectra
C10H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.12083
LC-ESI-Q; MS; POS; 15 V
WA000515
LC-ESI-Q; MS; POS; 30 V
WA000514
LC-ESI-Q; MS; POS; 45 V
WA000513
LC-ESI-Q; MS; POS; 60 V
WA000512
LC-ESI-Q; MS; POS; 75 V
WA000511
LC-ESI-Q; MS; POS; 90 V
WA000510
Echimidine
20 spectra
C20H31NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
397.21011
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
NA002464
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
NA003607
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA003608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA002465
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA002466
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA002467
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA002468
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA002859
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA002860
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA002861
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA002862
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA002863
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA003239
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA003240
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA003241
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA003242
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA003243
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA003604
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA003605
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA003606
Echimidine N-oxide
20 spectra
C20H31NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.20499
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
NA002469
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
NA003612
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA003613
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA002470
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA002471
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA002472
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA002473
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA002864
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA002865
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA002866
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA002867
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA002868
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA003244
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA003245
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA003246
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA003247
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA003248
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA003609
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA003610
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA003611
Echinatine
4 spectra
C15H25NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.37021
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA00510
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA00511
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA00512
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA00509
Echinenone
2 spectra
C40H54O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
550.41748
FAB-EBEB; MS2; m/z: 550.42; [M]*+
CA000149
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSJ00126
Echinocystic acid-3-O-glucoside
10 spectra
C36H58O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
634.85101
LC-ESI-QTOF; MS2
PR305309
LC-ESI-QTOF; MS2
PR305310
LC-ESI-QTOF; MS2
PR305311
LC-ESI-QTOF; MS2
PR305312
LC-ESI-QTOF; MS2
PR305313
LC-ESI-QTOF; MS2
PR305314
LC-ESI-QTOF; MS2
PR305315
LC-ESI-QTOF; MS2
PR305316
LC-ESI-QTOF; MS2
PR305317
LC-ESI-QTOF; MS2
PR308691
Echisoside
5 spectra
C21H30O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.46490
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA01134
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA01135
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA01136
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA01133
LC-ESI-QQQ; MS; [M+H]+
CB000279
Ectoine
10 spectra
C6H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.07423
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO002834
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000714
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO002835
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000715
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO002836
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000716
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO002837
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000717
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO002838
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000718
ectoine
2 spectra
C6H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.07420
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
ML003701
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
ML003751
EDDP
24 spectra
C20H23N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.18301
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA282508
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA282502
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA282509
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA282503
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA282514
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA282501
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA282510
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA282504
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA282511
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA282505
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA282512
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA282506
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA282513
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA282507
LC-ESI-Q; MS; POS; 15 V, 30 V
WA002264
LC-ESI-Q; MS; POS; 45 V
WA002265
LC-ESI-Q; MS; POS; 60 V
WA002266
LC-ESI-Q; MS; POS; 75 V
WA002267
LC-ESI-Q; MS; POS; 90 V
WA002268
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU161501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU161502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU161503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU161504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU161505
Edpetinosine
5 spectra
C33H55NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
577.80878
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
NGA00762
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
NGA00763
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
NGA00764
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
NGA00761
LC-ESI-QQQ; MS; [M+H]+
CB000153
Efavirenz
31 spectra
C14H9ClF3NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.02740
LC-ESI-Q; MS; NEG; 15 V, 30 V
WA000373
LC-ESI-Q; MS; POS; 15 V
WA000372
LC-ESI-Q; MS; POS; 30 V
WA000371
LC-ESI-Q; MS; POS; 45 V
WA000370
LC-ESI-Q; MS; POS; 60 V
WA000369
LC-ESI-Q; MS; POS; 75 V
WA000368
LC-ESI-Q; MS; POS; 90 V
WA000367
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ329201
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
EQ329251
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ329202
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
EQ329252
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM851803
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM851853
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ329203
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
EQ329253
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ329204
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
EQ329254
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ329205
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
EQ329255
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ329206
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
EQ329256
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU235701
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU235757
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU235702
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU235758
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU235703
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU235759
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU235704
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU235760
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU235705
LC-ESI-QTOF; MS2; CE: Ramp 21.9-32.9 eV; R=35000; [M+H]+
AU235706
Eflornithine
5 spectra
C6H12F2N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.08669
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003153
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003154
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003155
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003156
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003157
EICOSANE
3 spectra
C20H42
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.32864
CI-B; MS
JP012170
EI-B; MS
JP006889
EI-B; MS
JP007693
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