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MassBank Record: KO002809

2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002809
RECORD_TITLE: 2,4-Dimethylaniline; 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 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 40 V

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

PK$SPLASH: splash10-004i-9400000000-76ff427fb4f63ff58fcd
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44.700 39604.0 4
  51.100 509901.5 46
  53.300 108911.0 10
  60.800 14851.5 1
  65.200 435644.0 40
  66.300 94059.5 9
  68.300 14851.5 1
  77.100 11009912.0 999
  79.000 3841588.0 349
  89.400 118812.0 11
  89.900 99010.0 9
  90.800 39604.0 4
  92.400 34653.5 3
  94.900 747525.5 68
  102.100 148515.0 13
  102.900 1519803.5 138
  103.900 79208.0 7
  105.000 514852.0 47
  106.300 4445549.0 403
  107.000 1316833.0 119
  120.300 39604.0 4
//

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