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MassBank Record: MSBNK-RIKEN_ReSpect-PS080905

1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS080905
RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Avanti, 857120P.
COMMENT: PRIMe compound in-house ID S0246
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 1-Myristoyllysophosphatidic acid
CH$NAME: 14:0 LysoPA
CH$NAME: 1-tetradecanoyl-2-sn-glycero-3-phosphate
CH$NAME: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phospholipid CLASS3 Glycerophosphate
CH$FORMULA: C17H35O7P
CH$EXACT_MASS: 382.436
CH$SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CH$IUPAC: InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)
CH$LINK: CAS 325465-45-0
CH$LINK: PUBCHEM CID:9547180
CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 383.46

PK$SPLASH: splash10-0a4i-9000000000-9d09ff3cb990d1424121
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  28.0 1390.0 33
  42.0 1531.0 36
  43.0 8609.0 201
  56.0 8832.0 207
  57.0 42683.0 999
  71.0 19558.0 458
  85.0 9058.0 212
  95.0 4180.0 98
  98.0 2822.0 66
  99.0 6638.0 155
  154.0 2852.0 67
  155.0 1939.0 45
//

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