ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004473
RECORD_TITLE: 5-PHENYL-2H-PYRIMIDO(1,2-B)(1,2,4)OXADIAZOL-2-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$NAME: 5-PHENYL-2H-PYRIMIDO(1,2-B)(1,2,4)OXADIAZOL-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₇N₃O₂
CH$EXACT_MASS: 213.05383
CH$SMILES: O=C(O1)N=C(N=2)N(C=CC2c(c3)cccc3)1
CH$IUPAC: InChI=1S/C11H7N3O2/c15-11-13-10-12-9(6-7-14(10)16-11)8-4-2-1-3-5-8/h1-7H
CH$LINK: INCHIKEY LOVGUMOTBPBRIX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12908025

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-03fu-9840000000-cabe09096819eb999741
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  36 1.2 12
  37 0.8 8
  38 1.9 19
  39 0.64 6
  40 1.9 19
  41 3.7 37
  42 1.2 12
  43 0.08 1
  44 32.4 324
  45 1.6 16
  46 0.7 7
  47 0.03 0
  49 0.6 6
  50 9 90
  51 26.2 262
  52 0.36 4
  53 3.3 33
  54 0.5 5
  55 0.5 5
  56 0.05 1
  56.5 0.4 4
  57 1.7 17
  57.5 3.4 34
  58 0.04 0
  58.5 0.2 2
  61 1 10
  62 2.9 29
  63 0.66 7
  64 3.3 33
  65 3.2 32
  66 3.4 34
  67 0.11 1
  68 0.4 4
  69 0.3 3
  69.5 0.2 2
  70 0.07 1
  70.5 0.5 5
  73 0.4 4
  74 3.7 37
  75 0.53 5
  76 8.1 81
  77 58.6 586
  78 5.3 53
  79 0.03 0
  81 0.3 3
  83 1.8 18
  85 1.2 12
  85.5 0.07 1
  86 0.5 5
  87 1.2 12
  88 2.8 28
  89 0.6 6
  90 3.4 34
  91 2.6 26
  92 1.4 14
  93 1.72 17
  94 1.3 13
  95 0.3 3
  98 0.5 5
  99 0.06 1
  100 1 10
  101 4.4 44
  102 8.7 87
  103 1.19 12
  104 3.4 34
  105 3.8 38
  106 0.3 3
  106.5 0.06 1
  109 0.2 2
  113 2.8 28
  114 20.5 205
  115 2.28 23
  116 6.2 62
  117 2.6 26
  118 2 20
  119 0.28 3
  120 0.4 4
  121 0.3 3
  126 0.3 3
  127 0.18 2
  128 7.7 77
  129 10.3 103
  130 1.5 15
  131 0.02 0
  139 0.4 4
  140 32.8 328
  141 7.1 71
  142 4.83 48
  143 7.4 74
  144 1.7 17
  145 0.5 5
  146 0.03 0
  149 0.2 2
  153 0.4 4
  154 0.3 3
  155 0.86 9
  156 1.5 15
  157 0.3 3
  158 0.6 6
  159 0.02 0
  168 5.8 58
  169 8.1 81
  170 25.7 257
  171 2.59 26
  172 2.8 28
  173 0.2 2
  183 0.7 7
  186 0.07 1
  187 1.9 19
  188 0.2 2
  196 0.2 2
  197 0.05 1
  198 0.3 3
  212 1.4 14
  213 99.99 999
  214 1.47 15
  215 1.3 13
//