ACCESSION: MSBNK-EPA-ENTACT_AGILENT001810
RECORD_TITLE: Parinol; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 330.0446959161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-1009000000-1e143c057443d0139748
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  80.049476 14.383921 143
  277.065279 1.804367 18
  312.034131 1.559077 15
  330.044696 99.999998 999
//