ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009207
RECORD_TITLE: CYCLOHEXANEACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXANEACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: OC(=O)CC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
CH$LINK: INCHIKEY LJOODBDWMQKMFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7063762

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$SPLASH: splash10-03e9-9000000000-b41e00ae96a1ce010432
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  26 1.41 14
  27 26.34 263
  28 5.95 60
  29 17.75 178
  31 2.36 24
  38 1.31 13
  39 33.52 335
  40 4.03 40
  41 53.99 540
  42 7.95 80
  43 10.93 109
  44 1.16 12
  45 14.31 143
  50 1.1 11
  51 2.78 28
  52 1.41 14
  53 10.93 109
  54 21.88 219
  55 64.64 646
  56 4.02 40
  57 2.53 25
  58 1 10
  59 1.04 10
  60 99.99 999
  61 58.12 581
  62 1.43 14
  65 1.92 19
  66 1.31 13
  67 40.59 406
  68 4.04 40
  69 1.7 17
  70 1.01 10
  71 1.45 15
  73 2.42 24
  77 1.88 19
  79 2.84 28
  80 1.63 16
  81 11.98 120
  82 64.72 647
  83 63.43 634
  84 3.26 33
  87 1.17 12
  89 1.32 13
  95 1.19 12
  99 2.87 29
  142 3.3 33
//