ACCESSION: MSBNK-EPA-ENTACT_AGILENT002263
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 376.0512723849
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-4900000000-9bd3c0b82087c50f3f05
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  34.969401 45.014298 449
  39.000701 1.397119 13
  41.998537 13.317794 133
  57.034588 1.576284 15
  96.972475 1.127445 11
  116.047893 1.372228 13
  144.045487 18.340704 183
  144.957219 1.077333 10
  172.006334 4.201799 41
  172.040402 99.999996 999
  172.089851 1.258025 12
//