ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003952
RECORD_TITLE: OXANAMIDE QUINACTIN; 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$NAME: OXANAMIDE QUINACTIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₅NO₂
CH$EXACT_MASS: 157.11028
CH$SMILES: CCCC(O1)C(CC)(C(N)=O)1
CH$IUPAC: InChI=1S/C8H15NO2/c1-3-5-6-8(4-2,11-6)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
CH$LINK: INCHIKEY WBLPIVIXQOFTPQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50925350

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052u-9100000000-f85db72ce512c3e6c6cb
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  33 1.7 17
  34 6.9 69
  35 19.4 194
  36 99.99 999
  37 6.3 63
  38 67.3 673
  39 55 550
  40 8.35 84
  41 83.6 836
  42 29.7 297
  43 51.1 511
  44 7.27 73
  45 5.7 57
  46 1.9 19
  47 2.3 23
  48 0.17 2
  49 1.9 19
  50 7.7 77
  51 11.5 115
  52 1.11 11
  53 18.5 185
  54 14.1 141
  55 65.5 655
  56 1.99 20
  57 99.95 1000
  58 13.5 135
  59 4.4 44
  60 0.39 4
  61 1.3 13
  62 1.7 17
  63 4.3 43
  64 0.34 3
  65 8.4 84
  66 7.8 78
  67 21.7 217
  68 0.81 8
  69 17.9 179
  70 12.2 122
  71 16.9 169
  72 2.23 22
  73 5.9 59
  74 2.6 26
  75 3.3 33
  76 0.32 3
  77 12.5 125
  78 8.3 83
  79 14.5 145
  80 0.93 9
  81 14.9 149
  82 24.1 241
  83 16.1 161
  84 0.62 6
  85 18.2 182
  86 3.6 36
  87 5.2 52
  88 0.17 2
  89 2.2 22
  90 1.5 15
  91 10.3 103
  92 0.56 6
  94 5.2 52
  95 7.9 79
  96 5.1 51
  97 0.81 8
  98 4.6 46
  99 1.9 19
  100 2.7 27
  101 0.31 3
  102 1.6 16
  103 1.9 19
  104 2.5 25
  105 0.39 4
  106 4.9 49
  107 3.6 36
  108 3.6 36
  109 0.49 5
  110 3.8 38
  111 3 30
  112 8.7 87
  113 0.62 6
  114 4.5 45
  115 3.5 35
  116 1.8 18
  117 0.23 2
  118 1.8 18
  119 2.5 25
  120 2.7 27
  121 0.35 4
  122 2.3 23
  123 3 30
  124 4.1 41
  125 0.03 0
  126 6.1 61
  127 1.9 19
  128 3 30
  129 0.26 3
  130 1.2 12
  131 1.5 15
  132 1.1 11
  133 0.19 2
  134 1.1 11
  135 3 30
  136 1.2 12
  137 0.18 2
  138 1.3 13
  139 2.8 28
  140 3.1 31
  141 0.44 4
  142 5 50
  143 2.1 21
  144 0.9 9
  145 0.13 1
  146 0.8 8
  147 1.5 15
  148 1 10
  149 0.54 5
  150 1.5 15
  151 1.2 12
  152 1.9 19
  153 0.15 2
  154 1.1 11
  155 1.2 12
  156 1 10
  157 0.18 2
  158 1.5 15
  159 1.2 12
  160 0.2 2
//