ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006475
RECORD_TITLE: MENTHYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: MENTHYL FORMATE
CH$NAME: 2-ISOPROPYL-5-METHYLCYCLOHEXYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: O=COC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3
CH$LINK: INCHIKEY XEYZAKCJAFSLGZ-UHFFFAOYSA-N

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$SPLASH: splash10-000t-9100000000-293cd98a683ce45c6920
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  18 2.44 24
  27 11.36 114
  28 1.15 12
  29 11.15 112
  31 1.45 15
  39 11.03 110
  40 1.67 17
  41 35.03 350
  42 4.75 48
  43 20.44 204
  44 1.34 13
  45 1.3 13
  51 1.02 10
  53 8.31 83
  54 7.19 72
  55 32.03 320
  56 7.68 77
  57 12.26 123
  65 1.43 14
  66 1.05 11
  67 23.79 238
  68 11.01 110
  69 17.03 170
  70 4.22 42
  71 7.65 77
  77 2.9 29
  79 5.91 59
  80 7.2 72
  81 71.04 710
  82 26.3 263
  83 12.42 124
  91 1.39 14
  93 1.94 19
  94 9.34 93
  95 99.99 999
  96 26.1 261
  97 4.45 45
  109 8.74 87
  110 2.13 21
  123 39.12 391
  124 4.32 43
  138 39.89 399
  139 5.99 60
//