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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000350

N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine; ESI-QTOF; MS2; CE: 20; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000350
RECORD_TITLE: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
CH$NAME: DTXSID3044966
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H24N2
CH$EXACT_MASS: 268.1939487804
CH$SMILES: CC(C)CC(C)N(C1C=CC=CC=1)C1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3
CH$LINK: CAS 61931-82-6
CH$LINK: INCHIKEY KZTCAXCBXSIQSS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93335

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$FOCUSED_ION: PRECURSOR_M/Z 269.2012252321
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0910000000-f3c389f3588fb33f954a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  43.054227 4.581639 45
  57.069877 1.756309 17
  85.101177 1.245187 12
  93.057301 3.566435 35
  166.065126 5.162465 51
  167.072951 1.374418 13
  168.080776 2.113908 21
  183.091675 13.378437 133
  184.0995 100.000001 999
  185.107325 37.607579 375
  186.11515 4.215295 42
  211.122975 16.742005 167
  212.1308 2.83636 28
  253.169925 2.501097 24
  267.185575 4.255263 42
  268.1934 2.013056 20
//

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