ACCESSION: MSBNK-EPA-ENTACT_AGILENT002261
RECORD_TITLE: FR167356; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-0109000000-b8bb74435a5debcc7e62
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  143.085527 1.106556 11
  171.080441 1.718364 17
  172.955547 21.654219 216
  214.086255 1.827626 18
  318.044696 2.160057 21
  320.02396 1.065845 10
  342.044696 2.245538 22
  360.055261 99.999999 999
  361.063086 2.020161 20
  378.065825 4.222334 42
//