ACCESSION: MSBNK-RIKEN_ReSpect-PS095105
RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; 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, D6382.
COMMENT: PRIMe compound in-house ID N0009
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$NAME: N,N-Dimethylglycine hydrochloride
CH$NAME: N-Methylsarcosine hydrochloride
CH$NAME: N,N-Dimethylaminoacetic acid hydrochloride
CH$NAME: Dmg
CH$NAME: 2-dimethylaminoacetic acid hydrochloride
CH$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 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 104.08

PK$SPLASH: splash10-0a4i-9000000000-90ac8a4118d35bed1eba
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  42.0 3442.0 43
  43.0 9713.0 122
  44.0 5492.0 69
  57.0 3347.0 42
  58.0 79622.0 999
  103.0 3458.0 43
//