ACCESSION: MSBNK-EPA-ENTACT_AGILENT000841
RECORD_TITLE: 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CH$NAME: DTXSID5051650
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₆N₂O₂
CH$EXACT_MASS: 410.1994280888
CH$SMILES: CC(C)(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)C1C=CC(=CC=1)OC1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
CH$LINK: CAS 13080-86-9
CH$LINK: INCHIKEY KMKWGXGSGPYISJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:83119

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$FOCUSED_ION: PRECURSOR_M/Z 411.2067045405
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0034900000-a10ebc2d3d5ecd19f36c
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  108.04439 8.77735 87
  210.09134 3.103365 31
  225.091006 1.099527 10
  226.122641 32.99188 329
  290.153941 2.905667 29
  318.148855 47.275112 472
  319.15668 2.73091 27
  396.183229 1.044472 10
  411.206705 100.000004 999
//