ACCESSION: MSBNK-EPA-ENTACT_AGILENT001489
RECORD_TITLE: 3,4,4'-Triaminodiphenyl ether; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3,4,4'-Triaminodiphenyl ether
CH$NAME: DTXSID1021372
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃N₃O
CH$EXACT_MASS: 215.1058620592
CH$SMILES: NC1C=CC(=CC=1)OC1C=C(N)C(N)=CC=1
CH$IUPAC: InChI=1S/C12H13N3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2
CH$LINK: CAS 6264-66-0
CH$LINK: INCHIKEY MPKIJEUTPZPJFP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:80434

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$FOCUSED_ION: PRECURSOR_M/Z 216.1131385109
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053r-9500000000-53c7768e058d30ae1c11
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  53.038577 10.416407 104
  65.038577 14.288928 142
  67.041651 1.142003 11
  78.033826 1.22957 12
  80.049476 100.000003 999
  80.081838 2.391266 23
  80.094414 1.537331 15
  81.057301 19.929371 199
  91.041651 2.958593 29
  92.049476 10.544178 105
  95.060375 2.895785 28
  107.060375 11.2067 111
  108.04439 35.293643 352
  108.0682 53.443874 533
  109.076025 3.268535 32
  127.054227 1.995452 19
  130.065126 1.083369 10
  143.072951 1.425291 14
  144.080776 1.004012 10
  154.065126 1.124441 11
//