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MassBank Record: KO002806

2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002806
RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-00di-1900000000-c27a4d72fec2199c2a54
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  36.100 559406.5 7
  46.100 202970.5 2
  50.000 9435653.0 116
  54.200 247525.0 3
  59.800 39604.0 1
  62.300 29703.0 1
  63.300 143564.5 2
  67.100 29703.0 1
  68.300 470297.5 6
  69.100 198020.0 2
  72.700 108911.0 1
  75.700 59406.0 1
  79.700 74257.5 1
  81.100 39604.0 1
  87.300 1896041.5 23
  90.000 876238.5 11
  102.900 54455.5 1
  104.000 178218.0 2
  105.100 2267329.0 28
  107.200 1351486.5 17
  119.900 54455.5 1
  122.200 81351566.5 999
  123.100 29703.0 1
  133.200 14851.5 1
  140.300 34653.5 1
  212.000 19802.0 1
//

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