ACCESSION: MSBNK-EPA-ENTACT_AGILENT000843
RECORD_TITLE: 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0a4i-2930000000-ffaec60b60b1ca65ab95
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  80.049476 8.940901 89
  93.057301 23.772882 237
  105.069877 1.53645 15
  108.04439 100.000002 999
  108.080776 2.195255 21
  109.052215 1.758626 17
  165.069877 2.019423 20
  167.085527 3.514687 35
  169.101177 1.992028 19
  179.085527 1.70487 17
  181.101177 1.764467 17
  182.072616 2.518581 25
  182.096426 1.541348 15
  182.109002 1.584898 15
  185.083515 1.248274 12
  195.080441 7.738826 77
  196.088266 1.415614 14
  197.096091 4.521631 45
  198.09134 2.417797 24
  209.096091 1.962515 19
  210.09134 32.189857 321
  211.099165 1.47963 14
  225.091006 1.17718 11
  226.122641 9.539278 95
  275.130466 1.138676 11
  303.12538 3.563488 35
  304.133205 6.449946 64
  379.15668 1.216351 12
  396.183229 2.459427 24
//