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MassBank Record: KO002664

N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002664
RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a4i-9000000000-9c9075d302e11b82ee64
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40.900 133663.5 5
  42.200 108911.0 4
  43.100 158416.0 6
  43.900 326733.0 12
  45.200 138614.0 5
  55.300 14851.5 1
  56.300 143564.5 5
  56.500 44554.5 2
  58.300 27747552.5 999
  69.200 995050.5 36
  86.200 6643571.0 239
  104.000 69307.0 2
//

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