ACCESSION: MSBNK-Keio_Univ-KO002759
RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-00wc-9100000000-aeb1521c62f5010e11aa
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  10.400 39604.0 216
  17.200 108911.0 594
  24.400 183168.5 999
  28.900 69307.0 378
  30.200 178218.0 972
  35.900 19802.0 108
  36.700 64356.5 351
  39.600 54455.5 297
  40.700 59406.0 324
  43.700 108911.0 594
  45.000 39604.0 216
  45.800 69307.0 378
  47.600 24752.5 135
  63.900 39604.0 216
  68.700 19802.0 108
  70.500 24752.5 135
  75.200 74257.5 405
  107.200 49505.0 270
  125.500 59406.0 324
  164.400 24752.5 135
  210.300 49505.0 270
  247.100 54455.5 297
  344.400 14851.5 81
//