ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008361
RECORD_TITLE: CIS-ROSE OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-ROSE OXIDE
CH$NAME: 4-METHYL-CIS-2-(2-METHYL-1-PROPENYL)PERHYDROPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)=CC([H])(O1)CC([H])(C)CC1
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1
CH$LINK: INCHIKEY CZCBTSFUTPZVKJ-NXEZZACHSA-N
CH$LINK: COMPTOX DTXSID6051980

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000i-9400000000-edfd04e12dc4a367c0d5
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 1.01 10
  27 10.05 101
  29 10.05 101
  31 1.35 14
  32 1.79 18
  39 17.41 174
  40 2.21 22
  41 31.8 318
  42 12.93 129
  43 6.54 65
  51 1.93 19
  52 1.17 12
  53 7.22 72
  54 1.98 20
  55 26.85 269
  56 7.57 76
  57 1.86 19
  65 1.79 18
  67 9.32 93
  68 1.44 14
  69 54.5 545
  70 3.19 32
  77 1.64 16
  79 2.15 22
  81 2.57 26
  82 3.47 35
  83 25.99 260
  84 13.17 132
  85 14.53 145
  93 1.07 11
  97 3.16 32
  109 1.17 12
  112 1.77 18
  139 99.99 999
  140 8.71 87
  153 1.38 14
  154 13.87 139
  155 1.32 13
//