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MassBank Record: KO003031

Glycerophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: 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
//

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