ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C01026
CH$LINK: NIKKAJI J135.420E
CH$LINK: PUBCHEM SID:4271
CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6074336

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.
  45.000 74257.5 2
  55.900 49505.0 1
  58.100 39485188.0 999
  69.100 648515.5 16
  73.600 34653.5 1
  85.300 69307.0 2
  86.200 22440616.5 568
  87.300 242574.5 6
  104.100 7351492.5 186
//