MassBank MassBank Search Contents Download

MassBank Record: MSBNK-EPA-ENTACT_AGILENT000351

N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine; ESI-QTOF; MS2; CE: 10; [M+H]+

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000351
RECORD_TITLE: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0159-0790000000-6905fef2df2b840656cd
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.054227 1.47027 14
  85.101177 1.606393 16
  166.065126 1.802628 18
  183.091675 10.269221 102
  184.0995 100.000001 999
  185.107325 77.102238 770
  186.11515 9.249251 92
  211.122975 13.381113 133
  212.1308 1.911035 19
  253.169925 1.646407 16
  267.185575 74.52458 744
  268.1934 51.262516 512
  269.201225 85.753654 856
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo