ACCESSION: MSBNK-EPA-ENTACT_AGILENT000842
RECORD_TITLE: 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0690-0596000000-cf3ad2f5e8fd05fc7763
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  80.049476 2.342735 23
  93.057301 9.029455 90
  108.04439 86.722316 866
  108.080776 1.785591 17
  135.080441 3.070209 30
  181.101177 2.115894 21
  182.109002 1.015561 10
  195.080441 2.989674 29
  197.096091 4.70143 46
  209.096091 6.691839 66
  210.09134 30.158597 301
  211.111742 1.924355 19
  225.091006 9.844973 98
  226.098831 1.133183 11
  226.122641 90.741841 906
  226.180155 1.566431 15
  227.130466 1.117077 11
  290.153941 22.457294 224
  300.138291 1.34335 13
  303.12538 1.976229 19
  304.133205 3.083774 30
  318.148855 100.000003 999
  318.20905 1.386172 13
  319.15668 9.005713 89
  396.183229 8.59513 85
  411.206705 9.898137 98
//