ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004593
RECORD_TITLE: 3-ETHOXY-6-(1-TETRAHYDROPYRANOXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-ETHOXY-6-(1-TETRAHYDROPYRANOXY-5-METHYL-4-HEXENYL)-2-CYCLOHEXENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O₄
CH$EXACT_MASS: 336.23006
CH$SMILES: CCOC(C2)=CC(=O)C(C2)C(CCC=C(C)C)OC(C1)OCCC1
CH$IUPAC: InChI=1S/C20H32O4/c1-4-22-16-11-12-17(18(21)14-16)19(9-7-8-15(2)3)24-20-10-5-6-13-23-20/h8,14,17,19-20H,4-7,9-13H2,1-3H3
CH$LINK: INCHIKEY PZUSLRHZOBPXDY-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-1290000000-f35e200edc6e6836b226
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43 1.6 16
  84 9.4 94
  85 10.7 107
  94 0.12 1
  113 1.2 12
  138 1.7 17
  139 3.7 37
  140 0.82 8
  141 1.7 17
  166 9.6 96
  167 6.7 67
  169 0.84 8
  170 3.5 35
  179 2.1 21
  182 2.6 26
  183 0.15 2
  191 1.3 13
  206 1.3 13
  219 1.2 12
  224 0.12 1
  233 2.8 28
  234 15 150
  235 4.5 45
  251 0.15 2
  252 99.99 999
  253 12.9 129
  254 1.9 19
//