ACCESSION: MSBNK-EPA-ENTACT_AGILENT001474
RECORD_TITLE: 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O
CH$EXACT_MASS: 188.0949630199
CH$SMILES: CC1CC(=O)N(N=1)C1C=CC(C)=CC=1
CH$IUPAC: InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
CH$LINK: CAS 86-92-0
CH$LINK: INCHIKEY IOQOLGUXWSBWHR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:66591

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$FOCUSED_ION: PRECURSOR_M/Z 187.0876865682
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0900000000-1aeec9c8b6f59691f865
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  106.066223 1.44881 14
  132.081873 1.10277 11
  187.087687 100.000003 999
//