ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008473
RECORD_TITLE: CYCLOHEXYL 2-METHYLPROPIONATE; 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$NAME: CYCLOHEXYL 2-METHYLPROPIONATE
CH$NAME: CYCLOHEXYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CC(C)C(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
CH$LINK: INCHIKEY IYYXBWAISHVFEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061543

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$SPLASH: splash10-0016-9000000000-f21f9c766a385cd8c337
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.67 17
  26 1.27 13
  27 29.29 293
  28 4.36 44
  29 13.79 138
  31 1.12 11
  39 22.05 221
  40 3.82 38
  41 57.71 577
  42 11.05 111
  43 99.99 999
  44 7.62 76
  45 1.38 14
  53 5.97 60
  54 14.71 147
  55 64.44 644
  56 4.98 50
  57 10.21 102
  67 37.1 371
  68 1.81 18
  70 1.83 18
  71 57.9 579
  72 2.39 24
  73 1.46 15
  79 1.43 14
  81 9.87 99
  82 57.22 572
  83 93.98 940
  84 6.34 63
  86 1.53 15
  88 2.14 21
  89 62 620
  90 2.37 24
  99 2.89 29
  127 4.43 44
//