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MassBank Record: KO002807

2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002807
RECORD_TITLE: 2,4-Dimethylaniline; 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 D180

CH$NAME: 2,4-Dimethylaniline
CH$NAME: 2,4-DMA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(C)c(N)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
CH$LINK: CAS 95-68-1
CH$LINK: KEGG C11003
CH$LINK: NIKKAJI J358A
CH$LINK: PUBCHEM SID:13186
CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026305

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$FOCUSED_ION: PRECURSOR_M/Z 122
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ab9-0900000000-c13b3fa3006ee1b9099b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43.700 24752.5 1
  44.800 99010.0 4
  45.700 188119.0 8
  50.300 64356.5 3
  55.400 79208.0 3
  59.100 99010.0 4
  61.400 24752.5 1
  63.200 39604.0 2
  69.100 292079.5 12
  73.300 69307.0 3
  76.100 24752.5 1
  77.100 529703.5 22
  79.100 1886140.5 77
  79.700 54455.5 2
  87.300 599010.5 25
  90.400 94059.5 4
  92.800 39604.0 2
  94.900 123762.5 5
  98.200 34653.5 1
  102.900 1361387.5 56
  105.000 11123773.5 456
  105.600 504951.0 21
  107.100 24396064.0 999
  120.200 297030.0 12
  121.500 163366.5 7
  122.200 23975271.5 982
  123.100 262376.5 11
//

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