ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009588
RECORD_TITLE: 1-PHENYL-3-PYRAZOLIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 1-PHENYL-3-PYRAZOLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀N₂O
CH$EXACT_MASS: 162.07931
CH$SMILES: O=C(C2)NN(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
CH$LINK: INCHIKEY CMCWWLVWPDLCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1049433

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08i0-7900000000-c37d774964dd44b01660
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.13 11
  27 4.77 48
  28 3.51 35
  29 2 20
  38 1.78 18
  39 4.33 43
  50 5.85 59
  51 19.28 193
  52 3.28 33
  55 6.79 68
  63 3.19 32
  64 3.23 32
  65 4.5 45
  66 1.08 11
  74 1.86 19
  75 1.43 14
  76 2.12 21
  77 62.55 626
  78 8.13 81
  79 3.33 33
  91 10.62 106
  92 14.61 146
  93 3.15 32
  104 4.76 48
  105 20.56 206
  106 16.53 165
  107 30.39 304
  108 1.55 16
  117 10.86 109
  118 9.06 91
  119 1.18 12
  120 4.86 49
  133 1.2 12
  160 3.35 34
  161 4.83 48
  162 99.99 999
  163 11.94 119
//