ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006666
RECORD_TITLE: 5-CHLOROETHOXY-2,6-DIMETHYL-3-METHOXY-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5-CHLOROETHOXY-2,6-DIMETHYL-3-METHOXY-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₃ClO₅
CH$EXACT_MASS: 330.12340
CH$SMILES: ClCCOC(=C1)C(C)(OC(=O)C([H])(C)CC)C(=O)C(C)=C(OC)1
CH$IUPAC: InChI=1S/C16H23ClO5/c1-6-10(2)15(19)22-16(4)13(21-8-7-17)9-12(20-5)11(3)14(16)18/h9-10H,6-8H2,1-5H3/t10-,16-/m1/s1
CH$LINK: INCHIKEY FGUIKRIBAYASBF-QLJPJBMISA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-0019000000-47e3e0f14ef6c31ba5d7
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  103 2.5 25
  201 3.7 37
  203 1.8 18
  229 0.29 3
  230 2.6 26
  231 16.7 167
  232 2.9 29
  233 0.51 5
  283 4.7 47
  330 6.8 68
  331 99.99 999
  332 2.03 20
  333 35.1 351
  334 6.2 62
  369 2.5 25
  371 1.4 14
//