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$EXACT_MASS: 172.01367
CH$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: 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.
  57.1 84158.5 309.0
  59.6 19802.0 73.0
  60.2 9901.0 36.0
  80.9 267327.0 981.0
  82.0 94059.5 345.0
  84.3 29703.0 109.0
  91.0 59406.0 218.0
  92.3 19802.0 73.0
  94.0 29703.0 109.0
  95.0 19802.0 73.0
  95.9 79208.0 291.0
  97.8 29703.0 109.0
  98.7 79208.0 291.0
  99.9 69307.0 254.0
  105.1 198020.0 727.0
  109.2 272278.0 999.0
  110.1 94059.5 345.0
  112.1 59406.0 218.0
  114.0 29703.0 109.0
  138.0 133664.0 490.0
  141.4 148515.0 545.0
  155.4 123762.0 454.0
  156.4 59406.0 218.0
  173.3 133664.0 490.0
//