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) \n

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$LINK: PUBCHEM SID:3939
AC$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 //