ACCESSION: MSBNK-EPA-ENTACT_AGILENT001814
RECORD_TITLE: Parinol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-003r-9200000000-54ed139bb131b404974d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  34.969401 99.999998 999
  51.024024 3.100302 30
  78.034923 79.053706 789
  92.99869 1.477989 14
  111.000701 32.288019 322
  119.037662 1.115736 11
  152.050573 2.124343 21
  179.037662 2.220557 22
  180.022165 1.228351 12
  180.045487 7.914607 79
  215.01434 3.976635 39
//