MassBank Record: MSBNK-EPA-ENTACT_AGILENT000837
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000837
RECORD_TITLE: N-Isopropyl-N'-phenyl-p-phenylenediamine; ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 227.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-001i-0900000000-601c1558526421ec2dea
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
93.057301 1.508518 15
107.060375 1.476759 14
183.091675 1.588032 15
184.0995 100.000002 999
185.107325 3.092855 30
212.1308 8.275384 82
227.154275 1.311389 13
//