ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003842
RECORD_TITLE: 1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE; 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$NAME: 1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
CH$NAME: ANTIPYRINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O
CH$EXACT_MASS: 188.09496
CH$SMILES: [H]C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
CH$IUPAC: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
CH$LINK: INCHIKEY VEQOALNAAJBPNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021117

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0550-9600000000-0c90aa2dd40a0fac3c48
PK$NUM_PEAK: 137
PK$PEAK: m/z int. rel.int.
  25 1 10
  26 4.1 41
  27 18 180
  28 4.2 42
  29 4.3 43
  30 2.9 29
  31 0.2 2
  32 0.14 1
  36 0.6 6
  37 2.4 24
  38 6.7 67
  39 2.63 26
  40 10 100
  41 14.7 147
  42 11.9 119
  43 0.07 1
  44 2.9 29
  45 0.8 8
  46 0.6 6
  47 0.04 0
  48 0.3 3
  49 1 10
  50 6 60
  51 0.24 2
  52 5.8 58
  53 2.8 28
  54 6.5 65
  55 0.26 3
  56 48.2 482
  57 3.4 34
  58 0.9 9
  59 0.02 0
  60 0.4 4
  61 1 10
  62 1.9 19
  63 0.65 7
  64 10.3 103
  65 8.1 81
  66 3.1 31
  67 0.74 7
  68 6.9 69
  69 4 40
  70 1 10
  71 0.01 0
  72 0.6 6
  73 0.9 9
  74 1.8 18
  75 0.17 2
  76 3.6 36
  77 63.4 634
  78 7.2 72
  79 0.19 2
  80 1.3 13
  81 1.4 14
  82 10.6 106
  83 0.27 3
  84 13.6 136
  85 1.7 17
  86 0.2 2
  87 0.04 0
  88 0.9 9
  89 1.4 14
  90 1.9 19
  91 1.27 13
  92 7.4 74
  93 16 160
  94 3.9 39
  95 0.14 1
  96 63.5 635
  97 5.1 51
  98 2 20
  99 0.04 0
  100 0.3 3
  101 0.5 5
  102 2 20
  103 0.04 0
  104 7.6 76
  105 24.2 242
  106 14.7 147
  107 0.22 2
  108 0.4 4
  109 0.2 2
  110 0.1 1
  111 0.19 2
  112 0.4 4
  113 0.2 2
  114 0.1 1
  115 0.97 10
  116 5.2 52
  117 5.1 51
  118 5.4 54
  119 0.37 4
  120 1.4 14
  121 2.9 29
  122 0.4 4
  127 0.07 1
  128 3 30
  129 5 50
  130 5.8 58
  131 0.34 3
  132 3.2 32
  133 1.6 16
  134 0.9 9
  135 0.09 1
  141 0.4 4
  142 2.7 27
  143 2 20
  144 0.44 4
  145 5.2 52
  146 3.1 31
  147 1.4 14
  148 0.08 1
  149 0.7 7
  154 0.4 4
  155 0.8 8
  156 0.13 1
  157 2.4 24
  158 2.8 28
  159 8.9 89
  160 0.34 3
  161 1 10
  162 0.9 9
  169 1 10
  170 0.14 1
  171 1.6 16
  172 1.3 13
  173 8 80
  174 0.58 6
  175 1.4 14
  176 0.4 4
  185 1.1 11
  186 0.01 0
  187 18.6 186
  188 99.99 999
  189 15.5 155
  190 0.02 0
  191 0.4 4
//