ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004372
RECORD_TITLE: ENDO 1-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3,2,1)OCTAN-3-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ENDO 1-ETHYL-5-METHYL-6,8-DIOXABICYCLO(3,2,1)OCTAN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₃
CH$EXACT_MASS: 172.10994
CH$SMILES: CCC(C2)(C1)OC(C)(O2)CC(O)1
CH$IUPAC: InChI=1S/C9H16O3/c1-3-9-5-7(10)4-8(2,12-9)11-6-9/h7,10H,3-6H2,1-2H3
CH$LINK: INCHIKEY VONWIFAYZFAVMY-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0006-9100000000-8f88f6eddd4f58c7d548
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 10.15 102
  28 3.33 33
  29 23.72 237
  30 0.11 1
  31 5.8 58
  39 8.72 87
  40 1.95 20
  41 14.1 141
  42 5.37 54
  43 99.99 999
  44 3.61 36
  45 3.76 38
  53 3.29 33
  55 7.09 71
  56 1.84 18
  57 46.16 462
  58 8.96 90
  59 2.46 25
  67 3.68 37
  68 2.1 21
  69 7.73 77
  70 2.17 22
  71 20.56 206
  72 11.76 118
  73 2.23 22
  79 1.4 14
  81 2.59 26
  82 2.28 23
  83 5.61 56
  84 7.19 72
  85 38.42 384
  86 3.26 33
  87 1.71 17
  88 4.59 46
  89 3.87 39
  95 6.67 67
  96 26.6 266
  97 8.93 89
  98 2.14 21
  99 0.41 4
  100 1.2 12
  101 5.83 58
  109 4.61 46
  111 3.17 32
  113 6.3 63
  114 1.18 12
  115 6.88 69
  125 2.81 28
  126 1.1 11
  139 1.47 15
  140 3.36 34
  141 1.53 15
  142 2.41 24
  143 4.15 42
  154 3.63 36
  155 1.29 13
  157 3.4 34
  172 0.64 6
//