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MassBank Record: KO003032

Glycerophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003032
RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:40 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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 173
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-007o-9000000000-98ff3dd11b618955376a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  56.900 19802.0 400
  70.000 29703.0 599
  77.000 14851.5 300
  80.900 39604.0 799
  92.200 49505.0 999
//

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