ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007057
RECORD_TITLE: P-TERT-BUTYLCYCLOHEXYL FORMATE; 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$NAME: P-TERT-BUTYLCYCLOHEXYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: O=COC(C1)CCC(C1)C(C)(C)C
CH$IUPAC: InChI=1S/C11H20O2/c1-11(2,3)9-4-6-10(7-5-9)13-8-12/h8-10H,4-7H2,1-3H3
CH$LINK: INCHIKEY ZIIKTNCFALFPNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10867449

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$SPLASH: splash10-0a59-9000000000-d9b83528905a7fff432a
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 5.11 51
  29 13.44 134
  31 1.05 11
  39 7.4 74
  40 1.09 11
  41 30.9 309
  42 1.76 18
  43 6.87 69
  44 2.06 21
  53 4.69 47
  54 6.22 62
  55 12.69 127
  56 32.87 329
  57 99.99 999
  58 4.98 50
  65 1.05 11
  67 32.34 323
  68 2.23 22
  69 5.66 57
  77 1.52 15
  79 5.12 51
  80 13.45 135
  81 21.49 215
  82 38.89 389
  83 26.93 269
  84 1.52 15
  95 2.29 23
  123 15.36 154
  124 1.21 12
  127 3.43 34
  128 3.24 32
  129 8.38 84
  138 4.86 49
  139 1.51 15
//