ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010328
RECORD_TITLE: CYCLOHEXANECARBOXYLIC ACID; 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$NAME: CYCLOHEXANECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: OC(=O)C(C1)CCCC1
CH$IUPAC: InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059180

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-03e9-9700000000-afedc669010cea1fff7a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 3.89 39
  29 2.45 25
  39 18.32 183
  40 1.02 10
  41 8.71 87
  42 1.05 11
  43 1.41 14
  45 1.83 18
  53 4.13 41
  54 5.55 56
  55 10.32 103
  56 3.49 35
  67 3.45 35
  68 8.39 84
  69 4.32 43
  73 3.59 36
  81 11.83 118
  82 4.23 42
  83 63.22 632
  84 4.19 42
  110 8.26 83
  111 99.99 999
  112 7.63 76
  127 1.82 18
  128 6.81 68
  129 13.84 138
  130 1.19 12
//