ACCESSION: MSBNK-EPA-ENTACT_AGILENT002492
RECORD_TITLE: PK 11195; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-000i-0090000000-4e1198182df35804a01c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  202.065126 7.884971 78
  203.072951 21.368253 213
  238.041803 100 999
  238.099318 4.326186 43
  238.123128 2.18191 21
  252.056966 2.111718 21
  279.068353 4.964078 49
//