ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002018
RECORD_TITLE: 3-PHENYLPYRAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8N2
CH$EXACT_MASS: 144.06875
CH$SMILES: C1=CC=C(C=C1)C2=CC=NN2
CH$IUPAC: InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
CH$LINK: INCHIKEY OEDUIFSDODUDRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40179320
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-4900000000-33ef1ec300df8ac3e4d9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  28 4.2 42
  38 1.3 13
  39 0.57 6
  40 2.2 22
  41 2.3 23
  50 5 50
  51 1.09 11
  52 2 20
  61 1.1 11
  62 3.3 33
  63 0.88 9
  64 2.1 21
  65 3.1 31
  72 3.9 39
  74 0.21 2
  75 2.4 24
  76 2.8 28
  77 17.3 173
  78 0.23 2
  86 1 10
  87 1.6 16
  88 1.7 17
  89 1.09 11
  90 10.9 109
  91 1.7 17
  102 1.2 12
  103 0.1 1
  104 3.2 32
  113 1.2 12
  114 1.7 17
  115 2.21 22
  116 7.1 71
  117 13.4 134
  118 2.2 22
  143 1.18 12
  144 99.99 999
  145 10.9 109
//
