ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002025
RECORD_TITLE: 5-METHYL-1-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$NAME: 5-METHYL-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀N₂
CH$EXACT_MASS: 158.08440
CH$SMILES: Cc(c2)n(nc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H10N2/c1-9-7-8-11-12(9)10-5-3-2-4-6-10/h2-8H,1H3
CH$LINK: INCHIKEY GIPOQOUSJKAZMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80218464

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$SPLASH: splash10-0a4i-9700000000-9753400cbfa745ee62fd
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  26 3.7 37
  27 14.6 146
  28 8.4 84
  29 0.15 2
  37 1.7 17
  38 6 60
  39 20 200
  40 0.56 6
  41 6.2 62
  42 5.1 51
  43 1.5 15
  50 1.06 11
  51 45.3 453
  52 10.2 102
  53 5 50
  54 0.49 5
  55 5 50
  62 2.3 23
  63 9.4 94
  64 0.86 9
  65 9.8 98
  66 7 70
  67 1.8 18
  74 0.22 2
  75 2.7 27
  76 4.7 47
  77 64.7 647
  78 1.14 11
  79 4 40
  81 6 60
  89 8.6 86
  90 1.56 16
  91 8 80
  92 2.8 28
  93 10.6 106
  102 0.18 2
  103 5.7 57
  104 6.8 68
  105 1.7 17
  106 0.18 2
  115 3.8 38
  116 6.4 64
  117 9 90
  118 0.68 7
  119 1.2 12
  128 2.9 29
  129 3.6 36
  130 3.67 37
  131 5.4 54
  132 3.5 35
  142 3.3 33
  143 0.65 7
  144 4.4 44
  145 2.8 28
  154 1.7 17
  155 0.23 2
  156 5.4 54
  157 59.4 594
  158 99.99 999
  159 1.19 12
  160 1.4 14
//