ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003659
RECORD_TITLE: ISOSERICENINE; 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$NAME: ISOSERICENINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀O₃
CH$EXACT_MASS: 260.14124
CH$SMILES: COC(=O)C(=C)C(C1)C(C)(C=C)Cc(o2)c(c(C)c2)1
CH$IUPAC: InChI=1S/C16H20O3/c1-6-16(4)8-14-12(10(2)9-19-14)7-13(16)11(3)15(17)18-5/h6,9,13H,1,3,7-8H2,2,4-5H3
CH$LINK: INCHIKEY CBYBNMGGKHNBFX-UHFFFAOYSA-N

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$SPLASH: splash10-0a4i-8900000000-f44b831a380118111991
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  15 2.2 22
  18 0.6 6
  27 7.2 72
  28 0.27 3
  29 5.1 51
  31 1.2 12
  38 1.1 11
  39 1.03 10
  40 3.1 31
  41 9.6 96
  42 3.9 39
  43 0.72 7
  44 1.1 11
  45 3 30
  50 3.1 31
  51 0.65 7
  52 3.7 37
  53 8.5 85
  55 11.4 114
  56 0.08 1
  57 1.1 11
  59 6.2 62
  62 0.8 8
  63 0.35 4
  64 1.6 16
  65 7.1 71
  66 3 30
  67 0.35 4
  68 1.1 11
  69 3 30
  70 0.9 9
  71 0.09 1
  74 0.9 9
  75 1.1 11
  76 1.1 11
  77 1.47 15
  78 4.5 45
  79 15 150
  80 3.1 31
  81 0.21 2
  82 0.8 8
  83 0.9 9
  84 0.4 4
  85 0.09 1
  89 1 10
  90 0.5 5
  91 13.5 135
  92 0.02 0
  93 3.2 32
  94 0.5 5
  95 2.3 23
  96 0.06 1
  97 0.4 4
  98 1.5 15
  103 0.6 6
  104 0.02 0
  105 8.5 85
  106 0.8 8
  107 1.1 11
  108 99.99 999
  109 10.2 102
  110 1.1 11
  115 3.1 31
  116 0.01 0
  117 1.9 19
  118 0.7 7
  119 2.2 22
  120 0.07 1
  121 1.4 14
  122 0.5 5
  126 0.4 4
  127 0.07 1
  128 1.9 19
  129 1.5 15
  130 0.4 4
  131 0.14 1
  132 1.1 11
  133 2.6 26
  134 0.6 6
  135 0.13 1
  141 0.6 6
  142 0.5 5
  143 1 10
  145 0.28 3
  146 0.7 7
  147 0.9 9
  148 6.2 62
  149 0.26 3
  157 0.5 5
  159 0.8 8
  160 0.4 4
  161 0.15 2
  171 0.5 5
  172 0.3 3
  173 0.5 5
  185 0.09 1
  192 1 10
  199 0.2 2
  200 0.3 3
  201 0.05 1
  205 0.3 3
  228 0.2 2
  229 0.2 2
  260 0.13 1
  261 0.2 2
//