ACCESSION: MSBNK-Keio_Univ-KO002666
RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-052f-9000000000-9950e0391541ef1aaf5e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29.800 24752.5 16
  39.200 49505.0 31
  40.800 99010.0 63
  42.200 495050.0 314
  43.100 336634.0 214
  43.900 836634.5 531
  56.100 108911.0 69
  58.300 1574259.0 999
  68.700 19802.0 13
  170.700 94059.5 60
//