ACCESSION: MSBNK-Keio_Univ-KO002758
RECORD_TITLE: Dimethylamine; 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 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 30 V

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

PK$SPLASH: splash10-0002-9000000000-17646ed4f7c44ba14045
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  11.600 29703.0 32
  13.600 44554.5 48
  18.300 113861.5 124
  20.700 34653.5 38
  21.200 59406.0 64
  28.600 54455.5 59
  29.900 366337.0 397
  31.100 123762.5 134
  40.900 84158.5 91
  44.900 69307.0 75
  46.000 920793.0 999
  50.500 49505.0 54
  54.600 44554.5 48
  61.400 54455.5 59
  67.700 74257.5 81
  70.300 54455.5 59
  72.000 19802.0 21
  73.300 29703.0 32
  100.300 24752.5 27
  106.200 24752.5 27
  128.500 19802.0 21
  134.900 19802.0 21
  171.600 9901.0 11
  189.200 39604.0 43
  258.200 39604.0 43
  286.000 14851.5 16
  325.800 64356.5 70
  459.400 44554.5 48
  552.800 89109.0 97
  596.500 44554.5 48
//