ACCESSION: MSBNK-EPA-ENTACT_AGILENT001479
RECORD_TITLE: 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
CH$NAME: DTXSID9044794
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄N₂O₂
CH$EXACT_MASS: 206.105527706
CH$SMILES: CC1(CO)CN(NC1=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
CH$LINK: CAS 13047-13-7
CH$LINK: INCHIKEY DSVIHYOAKPVFEH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:92238

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$FOCUSED_ION: PRECURSOR_M/Z 207.1128041577
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0bt9-0970000000-c62fee63eaf6d8555748
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.038577 1.376838 13
  59.049141 1.17819 11
  94.065126 1.366725 13
  106.065126 1.89964 18
  117.057301 1.013125 10
  118.065126 2.252553 22
  121.076025 29.503046 294
  131.072951 1.126295 11
  134.096426 8.186413 81
  146.096426 16.141718 161
  160.07569 53.069024 530
  162.09134 1.359216 13
  171.091675 1.445632 14
  175.086589 1.753549 17
  176.094414 5.310589 53
  177.091006 1.070122 10
  207.112804 100.000003 999
//