ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010976
RECORD_TITLE: CR-(4A-ALPHA,9A-BETA,1'-ALPHA,7'-ALPHA))-2,3,4A,9A-TETRAHYDRO-4A,9A-DIMETHOXYSPIRO(CYCLOHEPTA(1,4)DIOXINE-7,9'-8'-OXABICYCLO(5.2.0)NONANE); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CR-(4A-ALPHA,9A-BETA,1'-ALPHA,7'-ALPHA))-2,3,4A,9A-TETRAHYDRO-4A,9A-DIMETHOXYSPIRO(CYCLOHEPTA(1,4)DIOXINE-7,9'-8'-OXABICYCLO(5.2.0)NONANE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₆O₅
CH$EXACT_MASS: 322.17802
CH$SMILES: COC(O4)(C=3)C(OC)(OCC4)C=CC(C3)(O1)C([H])(C2)C([H])(CCCC2)1
CH$IUPAC: InChI=1S/C18H26O5/c1-19-17-10-8-16(14-6-4-3-5-7-15(14)23-16)9-11-18(17,20-2)22-13-12-21-17/h8-11,14-15H,3-7,12-13H2,1-2H3/t14-,15+,17-,18-/m0/s1
CH$LINK: INCHIKEY RAJOABBIYPQRAC-MVJTYMMSSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-8930000000-cfffaf79923ab734d6f8
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  39 11.05 111
  41 27.41 274
  43 12.28 123
  53 9.48 95
  55 18.46 185
  59 17.97 180
  65 8.25 83
  67 19.76 198
  75 22.11 221
  77 12.14 121
  79 10.51 105
  81 14.23 142
  91 13.25 133
  95 21.43 214
  103 99.99 999
  109 7.83 78
  111 9 90
  113 10.86 109
  121 11.73 117
  123 10.36 104
  139 11.58 116
  149 9.73 97
  165 10.76 108
  167 17.83 178
  195 17.02 170
  196 3.46 35
  199 1.55 16
  200 1.22 12
  203 1.32 13
  205 1.03 10
  211 2.06 21
  212 1.38 14
  215 1.54 15
  218 1.39 14
  219 1.74 17
  220 2.35 24
  226 3.33 33
  227 27.72 277
  228 3.09 31
  231 2.06 21
  232 1 10
  259 8.11 81
  260 1.54 15
  261 1.27 13
  279 1.48 15
  290 4.31 43
  291 5.28 53
  292 1.79 18
  307 1.71 17
  322 4.99 50
//