ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002481
RECORD_TITLE: METHYL 3-HYDROXY-4-METHYLENECYCLOHEXANECARBOXYLATE; EI-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$NAME: METHYL 3-HYDROXY-4-METHYLENECYCLOHEXANECARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₃
CH$EXACT_MASS: 170.09429
CH$SMILES: COC(=O)C(C1)CC(O)C(=C)C1
CH$IUPAC: InChI=1S/C9H14O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h7-8,10H,1,3-5H2,2H3
CH$LINK: INCHIKEY XQBZFGGJIWUYCF-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-03dl-9400000000-91a8b7cfacbf74ea2822
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  42 32.07 321
  43 27.82 278
  53 10.69 107
  55 55.43 554
  56 6.7 67
  59 11.02 110
  66 8.67 87
  67 25.81 258
  68 6.66 67
  69 19.8 198
  77 14.86 149
  79 10.06 101
  81 18.49 185
  82 13.58 136
  83 8.75 88
  84 12.55 126
  87 64.18 642
  91 15.92 159
  92 13.95 140
  93 62.43 624
  95 23.43 234
  109 11.57 116
  110 61.88 619
  111 99.99 999
  112 7.35 74
  138 15.89 159
  139 7.61 76
  170 9.88 99
//