MassBank MassBank Search Contents Download

MassBank Record: KO002804

2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002804
RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-004i-9200000000-b736963612d241701203
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  40.800 14851.5 5
  44.900 39604.0 14
  51.300 123762.5 45
  53.200 39604.0 14
  65.000 79208.0 29
  66.100 29703.0 11
  77.000 2732676.0 999
  77.800 69307.0 25
  78.900 965347.5 353
  94.900 178218.0 65
  101.900 49505.0 18
  102.900 381188.5 139
  104.200 14851.5 5
  105.100 193069.5 71
  106.100 529703.5 194
  107.300 193069.5 71
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze