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MassBank Record: PS030201

N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QQ; MS2

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

ACCESSION: PS030201
RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; 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, D1156.
COMMENT: PRIMe compound in-house ID 302
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$NAME: N,N-Dimethylaminoacetic acid
CH$NAME: N,N-Dimethylglycine
CH$NAME: N-Methylsarcosine
CH$NAME: 2-dimethylaminoacetic acid
CH$NAME: Dmg
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glycine
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.121
CH$SMILES: CN(C)CC(=O)O
CH$IUPAC: InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
CH$LINK: CAS 1118-68-9
CH$LINK: KEGG C01026
CH$LINK: PUBCHEM CID:673
CH$LINK: INCHIKEY FFDGPVCHZBVARC-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 210.27

PK$SPLASH: splash10-0a4i-0090000000-b2f840ecf69d4d5766dc
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  209.0 114334.0 999
//

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