ACCESSION: MSBNK-Keio_Univ-KO003023
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-002s-9300000000-c0099ccf0a34161c7780
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  43.300 49505.0 7
  45.000 712872.0 100
  55.200 44554.5 6
  57.100 252475.5 35
  58.000 193069.5 27
  59.000 207921.0 29
  60.100 2569309.5 360
  66.700 24752.5 3
  71.100 3252478.5 456
  72.400 24752.5 3
  81.200 158416.0 22
  86.300 7128720.0 999
  91.000 44554.5 6
  91.700 24752.5 3
  93.100 24752.5 3
  94.900 14851.5 2
  99.100 4445549.0 623
  104.300 3341587.5 468
  106.900 64356.5 9
  116.900 19802.0 3
  124.100 19802.0 3
  125.200 4049509.0 567
  135.100 351485.5 49
  149.000 49505.0 7
  166.300 138614.0 19
  190.500 14851.5 2
//