MassBank Record: KO002663

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N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002663
RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D036

CH$NAME: N,N-Dimethylglycine
CH$NAME: Dimethylglycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.06333
CH$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$LINK: CHEBI 17724
CH$LINK: CHEMPDB DMG
CH$LINK: COMPTOX DTXSID6074336
CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N
CH$LINK: KEGG C01026
CH$LINK: NIKKAJI J135.420E
CH$LINK: PUBCHEM SID:4271

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 104
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4r-9100000000-c67140c27d7ca787f694
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  45.0 74257.5 2.0
  55.9 49505.0 1.0
  58.1 3.94852E7 999.0
  69.1 648516.0 16.0
  73.6 34653.5 1.0
  85.3 69307.0 2.0
  86.2 2.24406E7 568.0
  87.3 242574.0 6.0
  104.1 7351490.0 186.0
//