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MassBank Record: KO002803

2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002803
RECORD_TITLE: 2,6-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 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 30 V

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

PK$SPLASH: splash10-0a6r-7900000000-2e6e430af0c761782755
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.300 24752.5 12
  43.300 19802.0 9
  45.100 89109.0 42
  55.000 39604.0 19
  64.700 29703.0 14
  69.100 59406.0 28
  76.900 2103962.5 999
  79.200 1811883.0 860
  80.100 54455.5 26
  93.100 94059.5 45
  93.400 14851.5 7
  95.000 178218.0 85
  95.400 74257.5 35
  102.100 24752.5 12
  103.100 1351486.5 642
  105.000 2014853.5 957
  105.900 608911.5 289
  107.200 1371288.5 651
  122.100 267327.0 127
//

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