ACCESSION: MSBNK-Keio_Univ-KO002810
RECORD_TITLE: 2,4-Dimethylaniline; 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 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 50 V

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

PK$SPLASH: splash10-004i-9100000000-4198f508ccb151c725bb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  38.800 54455.5 12
  51.300 742575.0 162
  53.100 99010.0 22
  63.200 44554.5 10
  65.200 207921.0 45
  66.000 99010.0 22
  77.000 4589113.5 999
  78.000 173267.5 38
  79.200 821783.0 179
  79.800 69307.0 15
  89.200 178218.0 39
  90.900 44554.5 10
  91.300 14851.5 3
  95.200 227723.0 50
  103.200 143564.5 31
  105.000 39604.0 9
  106.200 1113862.5 242
//