ACCESSION: MSBNK-Keio_Univ-KO002649
RECORD_TITLE: N,N-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 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 30 V

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

PK$SPLASH: splash10-0a4i-0900000000-e2755a3a974bacd7cdf1
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  45.000 59406.0 5
  45.300 14851.5 1
  54.900 9901.0 1
  60.000 64356.5 6
  77.100 188119.0 16
  78.000 74257.5 6
  78.800 108911.0 9
  92.300 24752.5 2
  93.100 34653.5 3
  104.200 19802.0 2
  105.500 158416.0 14
  106.100 11643576.0 999
  107.100 10955456.5 940
  120.200 34653.5 3
  122.200 252475.5 22
//