ACCESSION: MSBNK-Keio_Univ-KO002802
RECORD_TITLE: 2,6-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 D178

CH$NAME: 2,6-Dimethylaniline
CH$NAME: 2,6-DMA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)c(N)c(C)cc1
CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
CH$LINK: CAS 87-62-7
CH$LINK: KEGG C11004
CH$LINK: NIKKAJI J43.456F
CH$LINK: PUBCHEM SID:13187
CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026307

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$SPLASH: splash10-0ab9-1900000000-d65ee9324d0f1c4df6f7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  44.200 14851.5 3
  45.300 9901.0 2
  54.800 59406.0 12
  62.200 19802.0 4
  62.800 74257.5 15
  69.200 188119.0 39
  76.400 19802.0 4
  77.200 158416.0 33
  78.800 371287.5 76
  87.000 306931.0 63
  93.200 94059.5 19
  94.200 74257.5 15
  102.900 336634.0 69
  105.200 4232677.5 870
  105.600 64356.5 13
  106.900 2594062.0 533
  120.000 79208.0 16
  122.200 4861391.0 999
  123.100 69307.0 14
//