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MassBank Record: KO003029

Glycerophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003029
RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0pi0-1900000000-75b6ed57a4c9cd6378b4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  50.900 29703.0 19
  55.100 54455.5 34
  60.300 34653.5 22
  72.900 94059.5 59
  80.700 500000.5 313
  83.200 59406.0 37
  84.900 19802.0 12
  87.000 118812.0 74
  95.800 19802.0 12
  98.900 108911.0 68
  100.900 59406.0 37
  104.900 1252476.5 785
  109.100 470297.5 295
  112.700 24752.5 16
  113.200 133663.5 84
  115.300 34653.5 22
  118.800 69307.0 43
  123.200 44554.5 28
  137.400 64356.5 40
  138.100 311881.5 195
  141.300 643565.0 403
  155.000 326733.0 205
  156.200 1594061.0 999
  173.300 1405942.0 881
//

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