ACCESSION: MSBNK-Keio_Univ-KO002760
RECORD_TITLE: Dimethylamine; 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 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 50 V

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

PK$SPLASH: splash10-017i-9101000000-c269a0887eed5daf0e28
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  12.000 14851.5 111
  17.000 84158.5 629
  21.800 59406.0 444
  28.000 64356.5 481
  29.000 69307.0 518
  30.900 44554.5 333
  35.900 64356.5 481
  40.400 39604.0 296
  41.900 29703.0 222
  43.100 49505.0 370
  45.000 34653.5 259
  46.500 59406.0 444
  54.300 29703.0 222
  62.000 9901.0 74
  74.600 39604.0 296
  88.000 49505.0 370
  90.500 64356.5 481
  103.300 29703.0 222
  109.000 14851.5 111
  123.900 24752.5 185
  130.000 64356.5 481
  281.700 89109.0 666
  337.400 14851.5 111
  369.900 133663.5 999
  824.100 14851.5 111
//