ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000326
RECORD_TITLE: CAUCALOL DIACETATE; 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$NAME: CAUCALOL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₅
CH$EXACT_MASS: 338.20932
CH$SMILES: CC(=O)OC([H])(C2)C(C)(C)C([H])(OC(C)=O)C([H])=C(C)CCC([H])(O1)C(C)(C2)1
CH$IUPAC: InChI=1S/C19H30O5/c1-12-7-8-16-19(6,24-16)10-9-15(22-13(2)20)18(4,5)17(11-12)23-14(3)21/h11,15-17H,7-10H2,1-6H3/b12-11-/t15-,16-,17-,19-/m0/s1
CH$LINK: INCHIKEY LLDZPKVTWNOHBD-NXWIZDFYSA-N

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0apl-9600000000-fc6fb1a4523c5a527c84
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  41 23 230
  42 2.5 25
  43 99.99 999
  44 0.2 2
  45 3 30
  50 2.5 25
  51 8 80
  52 0.05 1
  53 9 90
  54 7 70
  55 78 780
  56 0.09 1
  57 19.5 195
  58 2.5 25
  59 4.5 45
  60 0.75 8
  61 3.5 35
  62 1 10
  63 2.5 25
  64 0.15 2
  65 13 130
  66 5 50
  67 42 420
  68 1.08 11
  69 47.5 475
  70 6.5 65
  71 22 220
  72 0.85 9
  73 2 20
  74 0.5 5
  75 1.5 15
  76 0.01 0
  77 26 260
  78 12 120
  79 35.5 355
  80 1.55 16
  81 54.5 545
  82 33.5 335
  83 33 330
  84 3.05 31
  85 17.5 175
  87 1 10
  89 1 10
  90 0.29 3
  91 7.5 75
  92 34.5 345
  93 12.8 128
  94 3.35 34
  95 12.5 125
  96 25 250
  97 5 50
  99 0.45 5
  100 3.5 35
  101 3 30
  102 1 10
  103 0.05 1
  104 1.5 15
  105 22.5 225
  106 8 80
  107 0.42 4
  109 78 780
  110 17.5 175
  111 23.5 235
  112 0.85 9
  113 1.5 15
  114 3 30
  115 5.5 55
  116 0.15 2
  117 7.5 75
  118 4.5 45
  119 19 190
  120 0.85 9
  121 24 240
  122 15.5 155
  123 15.5 155
  124 0.09 1
  125 13.5 135
  126 11 110
  127 1.5 15
  128 0.03 0
  129 3 30
  130 2 20
  131 7.5 75
  132 0.45 5
  133 16 160
  134 5 50
  135 17.5 175
  136 0.12 1
  137 10.5 105
  138 5.5 55
  139 6.5 65
  140 0.35 4
  141 1.5 15
  142 1.5 15
  143 3.8 38
  144 0.02 0
  145 1 10
  146 3.5 35
  147 23.5 235
  148 0.75 8
  149 10 100
  150 5.5 55
  151 8.5 85
  152 0.06 1
  153 6 60
  154 6.5 65
  155 2.5 25
  156 0.15 2
  157 5.3 53
  158 2.5 25
  159 2 20
  160 0.75 8
  161 11.5 115
  162 6.5 65
  163 4 40
  164 0.15 2
  165 2.5 25
  166 1.5 15
  167 5.5 55
  168 0.15 2
  169 1.8 18
  170 1 10
  171 2 20
  172 0.3 3
  173 3 30
  174 5.5 55
  175 17.5 175
  176 0.04 0
  177 2 20
  178 1 10
  179 1 10
  180 0.08 1
  185 6 60
  186 0.8 8
  187 1 10
  188 0.05 1
  189 4.5 45
  190 4.5 45
  191 2 20
  192 0.01 0
  193 1.5 15
  200 4.3 43
  201 2.5 25
  202 0.07 1
  204 1.3 13
  206 8.5 85
  207 0.7 7
  208 0.07 1
  209 1.5 15
  211 0.7 7
  212 0.7 7
  216 0.07 1
  217 2 20
  218 15.7 157
  219 5 50
  220 0.02 0
  221 1.5 15
  222 0.8 8
  236 4 40
  237 0.02 0
  238 1 10
  278 3.2 32
  279 1 10
  338 1.5 15
//