ACCESSION: MSBNK-Keio_Univ-KO002648
RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0a4i-0900000000-1402f1580a4bb8ce5135
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  40.700 9901.0 1
  44.700 39604.0 2
  50.100 39604.0 2
  55.300 54455.5 3
  60.900 29703.0 2
  69.200 247525.0 14
  78.200 29703.0 2
  86.800 99010.0 6
  93.100 64356.5 4
  93.600 49505.0 3
  103.700 79208.0 4
  105.000 64356.5 4
  105.900 1346536.0 76
  107.000 17757443.5 999
  120.100 34653.5 2
  122.200 7049512.0 397
//