ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002222
RECORD_TITLE: CYCLOHEXANEPROPIONIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXANEPROPIONIC ACID METHYL ESTER
CH$NAME: METHYL 3-CYCLOHEXYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: COC(=O)CCC(C1)CCCC1
CH$IUPAC: InChI=1S/C10H18O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY PPALFHZGSIENQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00174735

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-059j-9000000000-6aeb411130896bee881f
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  38 0.3 3
  39 14.4 144
  41 37.8 378
  42 0.35 4
  43 23.6 236
  50 1 10
  51 1.4 14
  52 0.14 1
  53 7.7 77
  54 9.1 91
  55 78 780
  56 0.45 5
  57 14.1 141
  58 1.7 17
  60 0.3 3
  61 0.1 1
  63 0.7 7
  65 1 10
  66 2.1 21
  67 1.97 20
  68 5.6 56
  69 9.8 98
  70 1.7 17
  72 0.03 0
  74 80.9 809
  75 23.6 236
  76 1.4 14
  77 0.1 1
  78 2.1 21
  79 7.4 74
  80 2.1 21
  81 1.2 12
  82 2.8 28
  83 10.6 106
  84 1.4 14
  85 0.07 1
  87 99.99 999
  88 18.7 187
  89 1.4 14
  91 0.24 2
  93 3.8 38
  94 6.3 63
  95 9.5 95
  96 2.89 29
  97 94.3 943
  98 8.1 81
  99 0.3 3
  105 0.03 0
  109 3.8 38
  110 2.4 24
  111 1 10
  113 0.1 1
  119 1.4 14
  120 2.4 24
  121 13.4 134
  122 0.14 1
  123 0.3 3
  135 0.3 3
  137 1.4 14
  138 0.45 5
  139 12.7 127
  140 1.4 14
  141 13 130
  142 0.21 2
  169 0.3 3
  170 1.4 14
  171 0.3 3
//