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MassBank Record: MSBNK-RIKEN_ReSpect-PT106810

L-alpha-Glycerophosphorylcholine, sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct , 2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium, L-alpha-Glycerol Phosphorylcholine, Choline Alphoscerate; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT106810
RECORD_TITLE: L-alpha-Glycerophosphorylcholine, sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct , 2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium, L-alpha-Glycerol Phosphorylcholine, Choline Alphoscerate; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-alpha-Glycerophosphorylcholine
CH$NAME: sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct
CH$NAME: 2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CH$NAME: L-alpha-Glycerol Phosphorylcholine
CH$NAME: Choline Alphoscerate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phospholipid CLASS3 Phosphocholine
CH$FORMULA: C8H21NO6P+
CH$EXACT_MASS: 258.233
CH$SMILES: C[N+](C)(C)CCOP(=O)(O)OCC(CO)O
CH$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
CH$LINK: CAS 563-24-6
CH$LINK: INCHIKEY SUHOQUVVVLNYQR-UHFFFAOYSA-O

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 258.11062

PK$SPLASH: splash10-0udi-2910000000-f2ad69d1705832c0b931
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  86.0971 464.2 269
  98.9853 233.8 136
  104.1076 1723.0 999
  125.0012 626.7 363
  184.0748 157.7 91
  258.1106 504.5 293
//

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