MassBank Record: MSBNK-Keio_Univ-KO003030
ACCESSION: MSBNK-Keio_Univ-KO003030
RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G072
CH$NAME: Glycerophosphate(2)
CH$NAME: Glycerophosphoric acid
CH$NAME: sn-Glycerol 3-phosphate
CH$NAME: sn-Gro-1-P
CH$NAME: Glycerol-3-phosphate
CH$NAME: Glycerophosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H9O6P
CH$EXACT_MASS: 172.01367
CH$SMILES: OC[C@@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
CH$LINK: CAS
57-03-4
CH$LINK: CHEBI
15978
CH$LINK: KEGG
C00093
CH$LINK: NIKKAJI
J4.450D
CH$LINK: PUBCHEM
SID:3393
CH$LINK: INCHIKEY
AWUCVROLDVIAJX-GSVOUGTGSA-N
CH$LINK: COMPTOX
DTXSID5048346
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-6900000000-1c46fbda1468f6fd803c
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
57.100 84158.5 309
59.600 19802.0 73
60.200 9901.0 36
80.900 267327.0 981
82.000 94059.5 345
84.300 29703.0 109
91.000 59406.0 218
92.300 19802.0 73
94.000 29703.0 109
95.000 19802.0 73
95.900 79208.0 291
97.800 29703.0 109
98.700 79208.0 291
99.900 69307.0 254
105.100 198020.0 727
109.200 272277.5 999
110.100 94059.5 345
112.100 59406.0 218
114.000 29703.0 109
138.000 133663.5 490
141.400 148515.0 545
155.400 123762.5 454
156.400 59406.0 218
173.300 133663.5 490
//
system version 2.2.6-SNAPSHOT