ACCESSION: MSBNK-EPA-ENTACT_AGILENT000176
RECORD_TITLE: N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine
CH$NAME: DTXSID0027771
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₈N₂
CH$EXACT_MASS: 296.225248908
CH$SMILES: CCCCCCC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
CH$LINK: CAS 15233-47-3
CH$LINK: INCHIKEY JQTYAZKTBXWQOM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:85821

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$FOCUSED_ION: PRECURSOR_M/Z 297.2325253597
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0910000000-c1c4a7bd391c7ebdfc06
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.069877 1.736448 17
  71.085527 1.565662 15
  93.057301 2.525517 25
  168.080776 2.016561 20
  184.0995 100.000002 999
  185.107325 49.384407 493
  211.122975 3.401649 33
  212.1308 8.63392 86
  282.20905 1.337334 13
  297.232525 4.658268 46
//