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Name
Formula / Structure
ExactMass
ID
(Methylsulfanyl)heptyl glucosinolate
1 spectrum
C15H29NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.59000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309210
(Methylsulfanyl)octyl glucosinolate
1 spectrum
C16H31NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
477.61700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309215
(Methylsulfinyl)butyl glucosinolate
1 spectrum
C12H23NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
437.50800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309204
(Methylsulfinyl)heptyl glucosinolate
1 spectrum
C15H29NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
479.58899
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309209
(Methylsulfinyl)hexyl glucosinolate
1 spectrum
C14H27NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
465.56201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309208
(Methylsulfinyl)octyl glucosinolate
1 spectrum
C16H31NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
493.61600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309212
(Methylsulfinyl)pentyl glucosinolate
1 spectrum
C13H25NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
451.53500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309206
(Methylsulfonyl)octyl glucosinolate
1 spectrum
C16H31NO11S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
509.61499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309213
(Methylthio)acetic acid
5 spectra
C3H6O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
106.00885
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001497
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001498
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001499
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001500
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001501
(N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONIC ACID DIBU...
2 spectra
C11H21F3NO4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
319.11603
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004539
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004538
(ORTHO-METHOXYCARBONYL)PHENYLACETIC ACID METHYL ES...
1 spectrum
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.07356
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002218
(PARA-DIMETHYLAMINO)CINNAMALDEHYDE
1 spectrum
C11H13NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.09972
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010445
(PENTAFLUOROPHENYL)DIFLUOROPHOSPHINE
1 spectrum
C6F7P
235.96259
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003808
(PHENYLTHIO)ACETIC ACID METHYL ESTER
1 spectrum
C9H10O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.04015
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004246
(R) Semivioxanthin
5 spectra
C15H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.08411
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003228
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003229
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003230
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003231
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003232
(R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, ...
1 spectrum
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.08701
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202000
(R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, ...
1 spectrum
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.08701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020007
(R)-(+)-Limonene
2 spectra
C10H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.12520
APCI-Q; MS; positive; APCI; H+
MSBNK-MSSJ-MSJ00080
APCI-Q; MS; positive; APCI; H+
MSBNK-MSSJ-MSJ00081
(R)-(-)-Phenylephrine
18 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
GC-EI-TOF; MS; 2 TMS; BP:116
MSBNK-Kazusa-KZ000067
GC-EI-TOF; MS; 2 TMS; BP:116
MSBNK-RIKEN-PR010006
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002366
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002365
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002364
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002363
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002362
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003778
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001646
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003779
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001647
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003780
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001648
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003781
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001649
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003782
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001650
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100009
(R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-...
1 spectrum
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.20799
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100200
(R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-...
4 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.20799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002004
(R)-2,3-di-O-geranylgeranylglycerol
1 spectrum
C43H72O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
636.54816
FAB-B; MS
MSBNK-UOEH-UO000009
(R)-2-Amino-3-methylmercaptopropionic acid, (R)-2-...
2 spectra
C4H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.18600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS114401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS114402
(R)-2-Hydroxy-2-phenylacetate, (2R)-2-hydroxy-2-ph...
1 spectrum
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.14900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210370
(R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phe...
4 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.14900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS103701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS103702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS103703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS103707
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