ACCESSION: MSBNK-EPA-ENTACT_AGILENT002491
RECORD_TITLE: PK 11195; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PK 11195
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₁ClN₂O
CH$EXACT_MASS: 352.134241017
CH$SMILES: CCC(C)N(C)C(=O)C1=CC2C=CC=CC=2C(=N1)C1=CC=CC=C1Cl
CH$IUPAC: InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
CH$LINK: CAS 85532-75-8
CH$LINK: INCHIKEY RAVIZVQZGXBOQO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1345

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 353.1415174687
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0039000000-bd3987a433f296d47294
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  238.041316 5.412021 54
  266.036718 2.095692 20
  279.068353 1.700279 16
  297.078917 30.35346 303
  353.141517 100 999
//