ACCESSION: MSBNK-EPA-ENTACT_AGILENT001487
RECORD_TITLE: 3,4,4'-Triaminodiphenyl ether; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0a4i-0920000000-70a42562fd440694e81e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  80.049476 1.527688 15
  107.060375 4.090705 40
  108.04439 99.999996 999
  108.0682 42.551114 425
  109.076025 46.428755 463
  123.055289 1.822922 18
  199.086589 4.398775 43
  216.113139 52.066508 520
//