ACCESSION: MSBNK-RIKEN_ReSpect-PS004901
RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; 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 WAKO, 077-00735.
COMMENT: PRIMe compound in-house ID 49
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$NAME: Glycine
CH$NAME: Gly
CH$NAME: Glycocoll
CH$NAME: Aminoethanoic acid
CH$NAME: Aminoacetic Acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glycine
CH$FORMULA: C₂H₅NO₂
CH$EXACT_MASS: 75.067
CH$SMILES: C(C(=O)O)N
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS 56-40-6
CH$LINK: KEGG C00037
CH$LINK: PUBCHEM CID:750
CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020667

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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 76.04

PK$SPLASH: splash10-004i-9000000000-470b71a702b37dca6cc0
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  29.0 28302.0 78
  30.0 200819.0 554
  48.0 26151.0 72
  75.0 63174.0 174
  76.0 362341.0 999
//