ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002208
RECORD_TITLE: CYCLOHEXANECARBOXYLIC 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$NAME: CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: COC(=O)C(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY ZQWPRMPSCMSAJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9074303

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$SPLASH: splash10-0bu9-9300000000-4e253eb261ff28940df3
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  50 2.6 26
  53 9.3 93
  54 10.6 106
  55 99.99 999
  56 5.3 53
  61 5.3 53
  65 12.6 126
  67 1.86 19
  68 20 200
  69 12 120
  74 4 40
  75 0.4 4
  78 2.6 26
  79 6.6 66
  81 18.6 186
  82 2.93 29
  83 77.3 773
  84 6.6 66
  87 98.6 986
  88 0.66 7
  99 2.6 26
  100 5.3 53
  101 16 160
  109 0.53 5
  110 29.3 293
  111 26.6 266
  113 21.3 213
  114 0.53 5
  127 10.6 106
  142 28 280
  143 5.3 53
//