MassBank Record: MSBNK-EPA-ENTACT_AGILENT000835
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000835
RECORD_TITLE: N-Isopropyl-N'-phenyl-p-phenylenediamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Isopropyl-N'-phenyl-p-phenylenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H18N2
CH$EXACT_MASS: 226.146998589
CH$SMILES: CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
CH$LINK: CAS
101-72-4
CH$LINK: INCHIKEY
OUBMGJOQLXMSNT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7573
AC$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 227.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-053r-1900000000-d8f6ff45c38734ad702e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
66.046402 4.886204 48
77.038577 1.936076 19
79.041651 1.402771 14
80.049476 19.986293 199
81.057301 13.598434 135
81.069877 1.297187 12
91.041651 1.060116 10
91.054227 1.661663 16
93.057301 11.272319 112
106.05255 3.023844 30
106.065126 2.39083 23
107.060375 92.954682 928
108.0682 1.414228 14
118.05255 9.927083 99
118.065126 9.693164 96
119.072951 8.245063 82
120.080776 1.625709 16
129.069877 1.416778 14
130.065126 4.175851 41
135.091675 1.276572 12
139.054227 1.121459 11
143.072951 1.899394 18
144.080776 1.938408 19
156.080776 4.830467 48
157.088601 3.295074 32
166.065126 15.88752 158
167.072951 7.966165 79
168.080776 3.912952 39
169.088601 6.759326 67
170.096426 8.570088 85
182.08385 4.026222 40
183.091675 42.533236 424
184.0995 100.000004 999
212.1308 2.35439 23
//