ACCESSION: MSBNK-EPA-ENTACT_AGILENT000177
RECORD_TITLE: N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-0590000000-dff2e707f9514464d91e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  184.0995 27.511104 274
  185.107325 31.821126 317
  297.232525 100.000002 999
//