MassBank Record: MSBNK-Keio_Univ-KO003031
ACCESSION: MSBNK-Keio_Univ-KO003031
RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a5c-9400000000-305e9a2554d8c3274f32
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
57.200 39604.0 347
68.000 29703.0 261
74.200 14851.5 130
81.300 113861.5 999
82.300 59406.0 521
90.900 39604.0 347
91.800 113861.5 999
95.800 19802.0 174
98.700 79208.0 695
104.600 24752.5 217
109.000 59406.0 521
109.300 103960.5 912
141.200 39604.0 347
155.400 44554.5 391
//
system version 2.2.6-SNAPSHOT