ACCESSION: MSBNK-Keio_Univ-KO002757
RECORD_TITLE: Dimethylamine; 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 D103

CH$NAME: Dimethylamine
CH$NAME: (CH3)2NH
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₇N
CH$EXACT_MASS: 45.05785
CH$SMILES: CNC
CH$IUPAC: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
CH$LINK: CAS 124-40-3
CH$LINK: CHEBI 17170
CH$LINK: CHEMPDB DMN
CH$LINK: KEGG C00543
CH$LINK: NIKKAJI J2.933E
CH$LINK: PUBCHEM SID:3824
CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024057

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$FOCUSED_ION: PRECURSOR_M/Z 46
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-9000000000-df28f146170e28bfcb5e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15.600 158416.0 15
  17.200 49505.0 5
  20.000 99010.0 9
  25.100 138614.0 13
  28.400 34653.5 3
  29.300 49505.0 5
  30.300 158416.0 15
  31.100 376238.0 36
  44.100 99010.0 9
  44.800 34653.5 3
  46.200 10415852.0 999
  56.900 24752.5 2
  88.900 34653.5 3
  119.100 24752.5 2
  122.700 24752.5 2
  136.100 118812.0 11
  182.800 59406.0 6
  198.400 39604.0 4
  223.400 84158.5 8
  387.500 24752.5 2
  399.700 9901.0 1
  503.100 24752.5 2
//