ACCESSION: MSBNK-EPA-ENTACT_AGILENT002260
RECORD_TITLE: FR167356; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: FR167356
CH$NAME: DTXSID1048174
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇Cl₂NO₃
CH$EXACT_MASS: 377.0585488366
CH$SMILES: CC1OC2C(=CC=CC=2C=1C(C)(C)O)NC(=O)C1C(Cl)=CC=CC=1Cl
CH$IUPAC: InChI=1S/C19H17Cl2NO3/c1-10-16(19(2,3)24)11-6-4-9-14(17(11)25-10)22-18(23)15-12(20)7-5-8-13(15)21/h4-9,24H,1-3H3,(H,22,23)
CH$LINK: CAS 174185-16-1
CH$LINK: INCHIKEY GCAOVMKRBUCSET-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10068207

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$FOCUSED_ION: PRECURSOR_M/Z 378.0658252883
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0900000000-dbe00d9b01a2124cfcbc
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.017841 1.996493 19
  59.049628 2.18057 21
  108.983954 1.222133 12
  128.062052 3.540428 35
  129.069877 1.266853 12
  143.085527 1.921295 19
  144.960632 7.686516 76
  171.080441 1.298113 12
  172.955547 99.999999 999
  173.002678 1.531908 15
  318.044696 1.283248 12
  342.044696 2.168378 21
  360.055261 2.065236 20
//