MassBank Record: MSBNK-EPA-ENTACT_AGILENT000350
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
//
system version 2.2.8-SNAPSHOT