ACCESSION: MSBNK-EPA-ENTACT_AGILENT001811
RECORD_TITLE: Parinol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Parinol
CH$NAME: DTXSID4042256
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₃Cl₂NO
CH$EXACT_MASS: 329.0374194644
CH$SMILES: OC(C1C=NC=CC=1)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H
CH$LINK: CAS 17781-31-6
CH$LINK: INCHIKEY NBNTWDUNCHRWMT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:28768

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 328.0301430127
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014j-1291000000-794d8b0865ba351d0245
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  34.969401 14.245278 142
  78.034923 5.737813 57
  111.000701 23.971491 239
  138.995616 5.448981 54
  188.026763 13.17614 131
  215.01434 5.262473 52
  216.022165 100 999
  216.081873 1.577312 15
  217.019244 1.906999 19
  220.993029 3.011499 30
  247.980119 9.607778 95
  248.987944 55.369858 553
  249.995769 1.165564 11
  328.030143 29.630795 296
//