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MassBank Record: KO003022

sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003022
RECORD_TITLE: sn-Glycero-3-phosphocholine; 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 G069

CH$NAME: Glycerophosphorylcholine
CH$NAME: Glycerophosphocholine
CH$NAME: sn-Glycero-3-phosphocholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H21NO6P+
CH$EXACT_MASS: 258.11065
CH$SMILES: OCC(O)COP(O)(=O)OCC[N+1](C)(C)C
CH$IUPAC: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
CH$LINK: CHEBI 16870
CH$LINK: KEGG C00670
CH$LINK: PUBCHEM SID:3939
CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O

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$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ug0-5900000000-700cbcac9d7f2288ebf3
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  44.800 262376.5 14
  55.100 39604.0 2
  57.000 311881.5 17
  58.100 84158.5 5
  59.100 79208.0 4
  60.100 2836636.5 155
  69.200 103960.5 6
  69.400 54455.5 3
  70.900 1282179.5 70
  73.000 44554.5 2
  75.200 69307.0 4
  79.900 34653.5 2
  81.200 39604.0 2
  86.200 12584171.0 686
  89.200 34653.5 2
  90.800 29703.0 2
  92.400 34653.5 2
  98.900 3321785.5 181
  104.100 18326751.0 999
  106.700 59406.0 3
  114.100 29703.0 2
  116.800 29703.0 2
  125.000 13970311.0 762
  135.300 668317.5 36
  142.900 39604.0 2
  149.300 69307.0 4
  152.100 143564.5 8
  166.200 1336635.0 73
  181.000 24752.5 1
  184.100 1074258.5 59
  191.100 44554.5 2
  207.100 79208.0 4
  209.200 24752.5 1
//

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