MassBank Record: KO003021



 sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003021
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 259 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1900000000-f75cad450e1b9d0a8725 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 44.700 29703.0 1 55.000 19802.0 1 57.300 118812.0 2 57.900 34653.5 1 60.200 816832.5 15 69.000 173267.5 3 71.100 207921.0 4 73.100 54455.5 1 80.900 29703.0 1 83.300 64356.5 1 86.100 8089117.0 153 92.800 14851.5 1 95.200 19802.0 1 97.400 44554.5 1 99.000 549505.5 10 104.100 52970350.0 999 106.900 19802.0 1 108.900 54455.5 1 119.200 64356.5 1 121.400 29703.0 1 124.900 13024765.5 246 135.400 500000.5 9 143.100 64356.5 1 149.000 74257.5 1 152.300 683169.0 13 155.300 24752.5 1 165.200 34653.5 1 166.300 1935645.5 37 181.200 153465.5 3 184.200 4925747.5 93 191.100 14851.5 1 198.800 54455.5 1 199.100 64356.5 1 207.600 168317.0 3 209.000 59406.0 1 225.100 49505.0 1 240.700 34653.5 1 258.500 257426.0 5 //