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MassBank Record: KO002801

2,6-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: KO002801
RECORD_TITLE: 2,6-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 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 10 V

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

PK$SPLASH: splash10-00di-1900000000-b7f88fb029beffffe8ac
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  36.000 128713.0 9
  50.200 1311882.5 88
  53.600 14851.5 1
  54.800 14851.5 1
  60.800 34653.5 2
  63.300 272277.5 18
  69.300 148515.0 10
  72.900 39604.0 3
  76.200 217822.0 15
  81.100 84158.5 6
  85.500 24752.5 2
  87.200 717822.5 48
  90.200 123762.5 8
  103.800 118812.0 8
  104.900 1495051.0 100
  106.800 173267.5 12
  122.200 14896054.5 999
  123.400 19802.0 1
//

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