ACCESSION: MSBNK-Keio_Univ-KO002650
RECORD_TITLE: N,N-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 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 40 V

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

PK$SPLASH: splash10-0a4i-1900000000-16e4e0636e50a518e5d8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  65.100 59406.0 6
  65.900 29703.0 3
  76.900 1316833.0 127
  78.400 237624.0 23
  79.300 643565.0 62
  92.300 74257.5 7
  94.900 94059.5 9
  104.300 49505.0 5
  106.100 10386149.0 999
  107.000 1346536.0 130
//