MassBank Record: MSBNK-EPA-ENTACT_AGILENT000175
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000175
RECORD_TITLE: N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 40; [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 40
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-1900000000-842919ea7f63651b73ee
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
43.054227 3.037291 30
57.069877 2.398997 23
81.057301 1.182065 11
92.049476 2.266561 22
93.057301 17.663973 176
107.060375 8.444161 84
108.0682 3.093442 30
118.05255 1.154189 11
118.065126 1.288693 12
119.072951 1.080653 10
166.065126 1.116978 11
167.072951 2.548129 25
168.080776 3.954788 39
169.088601 1.224512 12
170.096426 1.177018 11
183.091675 6.544538 65
184.0995 99.999999 999
185.107325 2.930011 29
211.122975 1.212079 12
212.1308 1.737545 17
//
system version 2.2.8-SNAPSHOT