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MassBank Record: KO002647

N,N-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: KO002647
RECORD_TITLE: N,N-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 D032

CH$NAME: N,N-Dimethylaniline
CH$NAME: N,N-Dimethylbenzenamine
CH$NAME: Dimethylaminobenzene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: CN(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
CH$LINK: CAS 121-69-7
CH$LINK: CHEBI 16269
CH$LINK: KEGG C02846
CH$LINK: NIKKAJI J2.488K
CH$LINK: PUBCHEM SID:5785
CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020507

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$SPLASH: splash10-00di-0900000000-3cec8f9949b4ca1fda59
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  36.100 94059.5 3
  50.200 1267328.0 41
  61.100 54455.5 2
  62.000 19802.0 1
  63.100 79208.0 3
  63.500 34653.5 1
  66.300 14851.5 1
  67.200 39604.0 1
  68.100 69307.0 2
  68.800 212871.5 7
  72.000 49505.0 2
  73.300 44554.5 1
  75.800 59406.0 2
  77.100 24752.5 1
  81.000 54455.5 2
  84.700 24752.5 1
  87.300 440594.5 14
  89.700 69307.0 2
  104.300 198020.0 6
  105.200 1445546.0 46
  107.100 1202971.5 39
  122.200 31074288.5 999
//

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