MassBank Record: KO003030

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Glycerophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: 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$EXACT_MASS: 172.01366999999999052306520752608776092529296875
CH$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: COMPTOX DTXSID5048346
CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N
CH$LINK: KEGG C00093
CH$LINK: NIKKAJI J4.450D
CH$LINK: PUBCHEM SID:3393

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
//