ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005689
RECORD_TITLE: ANTIPYRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ANTIPYRINE
CH$NAME: 2,3-DIMETHYL-1-PHENYL-3-PYRAZOLINE-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O
CH$EXACT_MASS: 188.09496
CH$SMILES: CC(=C2)N(C)N(C(=O)2)c(c1)cccc1
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: CAS 60-80-0
CH$LINK: INCHIKEY VEQOALNAAJBPNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021117

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-000i-9600000000-297680e0a5f2e22c7de5
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  15 2.59 26
  26 3.38 34
  27 4.56 46
  28 1.08 11
  36 0.9 9
  37 2.87 29
  39 13.72 137
  40 4.36 44
  42 4.62 46
  43 3.11 31
  50 2.74 27
  51 11.79 118
  52 2.47 25
  53 1.16 12
  54 3.19 32
  55 9.72 97
  56 25.96 260
  57 1.56 16
  62 0.82 8
  63 4.33 43
  64 6.75 68
  65 4.59 46
  66 1.21 12
  67 4.18 42
  68 4.25 43
  69 1.94 19
  75 0.7 7
  76 1.25 13
  77 42.47 425
  78 3.48 35
  79 0.65 7
  82 9.02 90
  83 1.38 14
  84 6.89 69
  89 0.55 6
  90 0.88 9
  91 6.85 69
  92 4.61 46
  93 9.44 94
  94 2.62 26
  95 1.28 13
  96 53.69 537
  97 3.45 35
  103 1.43 14
  104 3.93 39
  105 17.73 177
  106 9.02 90
  107 1.45 15
  115 5 50
  116 3.45 35
  117 2.79 28
  118 3.04 30
  119 1.16 12
  121 2.01 20
  128 0.95 10
  129 3.07 31
  130 3.21 32
  131 1.89 19
  132 1.39 14
  133 0.59 6
  144 1.88 19
  145 2.55 26
  146 1.71 17
  158 1.3 13
  159 4.02 40
  160 1.85 19
  173 5.32 53
  174 0.84 8
  187 9.92 99
  188 99.99 999
  189 14.7 147
  190 1.27 13
//