ACCESSION: MSBNK-EPA-ENTACT_AGILENT002016
RECORD_TITLE: 3'-Methyl-4-dimethylaminoazobenzene; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3'-Methyl-4-dimethylaminoazobenzene
CH$NAME: DTXSID8020838
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₇N₃
CH$EXACT_MASS: 239.1422475645
CH$SMILES: CC1C=CC=C(C=1)/N=N/C1C=CC(=CC=1)N(C)C
CH$IUPAC: InChI=1S/C15H17N3/c1-12-5-4-6-14(11-12)17-16-13-7-9-15(10-8-13)18(2)3/h4-11H,1-3H3/b17-16+
CH$LINK: CAS 55-80-1
CH$LINK: INCHIKEY LVTFSVIRYMXRSR-WUKNDPDISA-N
CH$LINK: PUBCHEM CID:5934

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 240.1495240162
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9200000000-6195df96aeec805765c4
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39.022927 1.687401 16
  41.038577 2.166155 21
  42.033826 1.199995 11
  65.038577 42.987174 429
  66.046402 2.301054 22
  68.049476 2.670496 26
  77.038577 2.38029 23
  79.054227 1.789544 17
  91.054227 99.999997 999
  91.110399 1.493645 14
  92.049476 2.17751 21
  92.062052 8.010474 80
  93.044725 2.901464 28
  106.065126 2.296943 22
  119.060375 6.598563 65
  120.080776 20.637281 206
  121.088601 3.688606 36
  133.076025 14.132134 141
  134.08385 2.760036 27
//