ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001193
RECORD_TITLE: 1,2-BETA-3,4-BETA-DIEPOXY-8-ALPHA-ACETYL-10-ALPHA-HYDROXY-TETRAHYDRO-DEHYDRO-COSTUSLACTONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BETA-3,4-BETA-DIEPOXY-8-ALPHA-ACETYL-10-ALPHA-HYDROXY-TETRAHYDRO-DEHYDRO-COSTUSLACTONE
CH$NAME: YOMOGIARTEMIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀O₇
CH$EXACT_MASS: 336.12090
CH$SMILES: CC(=O)OC([H])(C4)C([H])(C(=C)5)C([H])(OC(=O)5)C([H])(C(C)32)C(C(C)(O)4)(O1)C([H])1C([H])(O3)2
CH$IUPAC: InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1
CH$LINK: INCHIKEY ZLXIFWIIPCMMHF-BJVHOVFPSA-N
CH$LINK: COMPTOX DTXSID40989845

AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 190 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA

PK$SPLASH: splash10-0zfr-0009000000-a50ecfd466329a1810aa
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  316 10.93 109
  326 5.46 55
  336 1.87 19
  354 99.99 999
  355 22.27 223
  356 46.41 464
  357 7.8 78
//