ACCESSION: MSBNK-EPA-ENTACT_AGILENT002015
RECORD_TITLE: 3'-Methyl-4-dimethylaminoazobenzene; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0006-9110000000-1086f015db145955c6a7
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  45.032149 1.002092 10
  65.038577 1.959346 19
  91.054227 99.999998 999
  91.110399 1.267942 12
  92.062052 7.562413 75
  106.065126 1.331809 13
  120.080776 4.413511 44
  121.088601 8.869977 88
  133.076025 1.717018 17
  134.08385 4.315127 43
  240.149524 23.358426 233
//