ACCESSION: MSBNK-Keio_Univ-KO002808
RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a6r-5900000000-1fae6186f90e67df0806
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40.800 49505.0 4
  45.000 143564.5 12
  46.100 54455.5 5
  51.100 39604.0 3
  65.000 133663.5 11
  65.900 34653.5 3
  69.400 64356.5 5
  72.400 14851.5 1
  77.100 8465355.0 702
  79.000 8955454.5 743
  79.800 69307.0 6
  84.400 39604.0 3
  88.900 29703.0 2
  89.800 29703.0 2
  91.300 29703.0 2
  93.200 123762.5 10
  94.600 84158.5 7
  95.000 732674.0 61
  102.100 59406.0 5
  102.900 5158421.0 428
  104.300 94059.5 8
  105.000 6415848.0 532
  106.000 5386144.0 447
  107.100 12044566.5 999
  119.000 14851.5 1
  120.000 118812.0 10
  122.200 846535.5 70
//