ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006916
RECORD_TITLE: MENTHYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: MENTHYL PROPIONATE
CH$NAME: 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C13H24O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3
CH$LINK: INCHIKEY PELLUIPPBKHUAB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:95384

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$SPLASH: splash10-0a5j-9200000000-78eca66d5d105c0990ba
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 10.51 105
  29 36.46 365
  39 5.02 50
  41 22.63 226
  42 2.19 22
  43 15.13 151
  53 3.57 36
  54 3.11 31
  55 24.48 245
  56 4.86 49
  57 99.99 999
  58 3.07 31
  65 1.04 10
  67 12.91 129
  68 5.24 52
  69 16.43 164
  70 1.98 20
  71 4.61 46
  75 2.31 23
  77 1.4 14
  79 3.27 33
  80 5.19 52
  81 50.79 508
  82 25.03 250
  83 19.3 193
  84 1.85 19
  85 1.64 16
  93 1.25 13
  94 9.67 97
  95 85.35 854
  96 23.81 238
  97 4.45 45
  98 1.02 10
  99 1.68 17
  109 7.06 71
  110 4.64 46
  111 1.51 15
  113 1.42 14
  123 34.58 346
  124 2.62 26
  127 1.84 18
  137 2.63 26
  138 69.44 694
  139 11.53 115
  141 1.59 16
//