ACCESSION: MSBNK-RIKEN_ReSpect-PS033705
RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; 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 SIGMA, S7672.
COMMENT: PRIMe compound in-house ID 337
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$NAME: Methylaminoacetic Acid
CH$NAME: Sarcosine
CH$NAME: Sar
CH$NAME: N-Methylglycocoll
CH$NAME: Sarcosinic acid
CH$NAME: Methylaminoethanoic acid
CH$NAME: N-Methylglycine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Sarcosine
CH$FORMULA: C₃H₇NO₂
CH$EXACT_MASS: 89.094
CH$SMILES: CNCC(=O)O
CH$IUPAC: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
CH$LINK: CAS 107-97-1
CH$LINK: KEGG C00213
CH$LINK: PUBCHEM CID:1088
CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-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 90.06

PK$SPLASH: splash10-0006-9000000000-a1ad1df1b4a9942b765d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.0 14544.0 243
  44.0 59787.0 999
  86.0 2064.0 34
  88.0 4222.0 71
  89.0 4872.0 81
  90.0 7035.0 118
  91.0 4949.0 83
  93.0 3477.0 58
//