ACCESSION: MSBNK-EPA-ENTACT_AGILENT001488
RECORD_TITLE: 3,4,4'-Triaminodiphenyl ether; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-0900000000-19e204a436da608ff49a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65.038577 1.348064 13
  80.049476 10.430282 104
  92.049476 3.853943 38
  95.060375 1.266812 12
  107.060375 2.360432 23
  108.04439 99.999999 999
  108.0682 68.755802 686
  109.076025 24.296077 242
  123.055289 2.443948 24
  144.080776 1.417929 14
  154.065126 1.24975 12
  171.091675 2.661063 26
  182.06004 1.028297 10
  199.086589 4.949715 49
  216.113139 9.34128 93
//