MassBank Record: KO009113

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sn-Glycero-3-phosphocholine; LC-ESI-IT; MS3; m/z: 258/104; [M+H]+

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

ACCESSION: KO009113
RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-IT; MS3; m/z: 258/104; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G069
COMMENT: [MS2] KO009112

CH$NAME: Glycerophosphorylcholine
CH$NAME: Glycerophosphocholine
CH$NAME: sn-Glycero-3-phosphocholine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H21NO6P+
CH$EXACT_MASS: 258.11065000000002100932761095464229583740234375
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: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O
CH$LINK: KEGG C00670
CH$LINK: PUBCHEM SID:3939

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 258/104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0w29-4900000000-8244d1c705d7b937e861
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  58.4 8.15 10
  60.2 412.99 516
  61.3 0.92 1
  104.1 799.26 999
  105.3 5.30 7
  120.1 1.54 2
  165.3 2.15 3
  244.0 2.31 3
//