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Name
Formula / Structure
ExactMass
ID
cis-4-Hydroxyproline
9 spectra
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05824
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003113
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001057
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003114
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001058
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003115
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001059
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003116
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001060
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003117
CIS-4-NONENE
1 spectrum
C9H18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.14085
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012227
CIS-4-OCTENE
1 spectrum
C8H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
112.12520
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012219
CIS-5-(6-(1,3-DIOXAN-2-YL)HEXYL)-TRANS-4-(CIS-1-OC...
1 spectrum
C33H47NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
505.35559
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010278
CIS-5-(6-(1,3-DIOXAN-2-YL)HEXYL)-TRANS-4-FORMYL-2,...
1 spectrum
C26H33NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
423.24097
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010272
CIS-5-(6-(1,3-DITHIAN-2-YL)HEXYL)-TRANS-4-(TRANS-3...
1 spectrum
C33H45NO2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
551.28918
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010277
CIS-5-(6-(1,3-DITHIAN-2-YL)HEXYL)-TRANS-4-FORMYL-2...
1 spectrum
C26H33NO2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
455.19528
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010271
CIS-5-(6-CARBOXYHEXYL)-TRANS-4-(CIS-1-OCTENYL)-2,R...
1 spectrum
C30H41NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.30865
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010274
CIS-5-(6-CARBOXYHEXYL)-TRANS-4-(TRANS-3-HYDROXY-1-...
1 spectrum
C30H41NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
479.30356
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010276
CIS-5-(6-FORMYLHEXYL)-TRANS-4-(CIS-1-OCTENYL)-2,RE...
1 spectrum
C30H41NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
447.31372
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010273
CIS-5-(6-FORMYLHEXYL)-TRANS-4-(TRANS-3-HYDROXY-1-O...
1 spectrum
C30H41NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.30865
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010275
CIS-5-EICOSENOIC ACID METHYL ESTER
1 spectrum
C21H40O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.30283
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002190
CIS-5-EICOSENOIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C23H46O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.32672
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000587
CIS-9,CIS-12,CIS-15-OCTADECATRIENOIC ACIDMETHYL ES...
1 spectrum
C19H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.24023
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002189
CIS-9,CIS-12-OCTADECADIENOIC ACID METHYL ESTER
1 spectrum
C19H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.25589
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002188
CIS-9-HEXADECENOIC ACID METHYL ESTER
1 spectrum
C17H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.24023
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002185
cis-9-Hexadecenoic acid, Palmitolinoleic acid, Pal...
2 spectra
C16H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.41400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS056601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS056602
CIS-9-OCTADECENOIC ACID BUTYL ESTER
2 spectra
C22H42O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.31848
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001790
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001789
CIS-9-TETRADECENOIC ACID METHYL ESTER
1 spectrum
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002186
cis-Aconitic acid
17 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
GC-EI-TOF; MS; 3 TMS; BP:147
MSBNK-Kazusa-KZ000084
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010012
LC-ESI-IT; MS2; m/z: 192.0; [M+NH4]+
MSBNK-Metabolon-MT000021
LC-ESI-ITFT; MS2; m/z:129.02; NEG
MSBNK-NAIST-KNA00543
LC-ESI-ITFT; MS2; m/z:129.02; NEG
MSBNK-NAIST-KNA00809
LC-ESI-ITFT; MS2; m/z:173.01; NEG
MSBNK-NAIST-KNA00544
LC-ESI-ITFT; MS2; m/z:173.01; NEG
MSBNK-NAIST-KNA00810
LC-ESI-ITFT; MS2; m/z:174.01; NEG
MSBNK-NAIST-KNA00545
LC-ESI-ITFT; MS2; m/z:369.01; NEG
MSBNK-NAIST-KNA00811
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00542
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00808
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000047
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000048
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000049
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000050
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000051
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100734
cis-Aconitic acid, Achilleaic acid, cis-Propene-1,...
3 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004608
CIS-BICYCLO(3.3.0)OCTAN-3,7-DIONE
1 spectrum
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000325
CIS-BICYCLO(4.3.0)NONANE
1 spectrum
C9H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
124.12520
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000135
CIS-BICYCLO(4.4.0)DECANE
1 spectrum
C10H18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.14085
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000131
CIS-BICYCLO(4.4.0)DECANE-2-ONE
1 spectrum
C10H16O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.12012
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000133
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