ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002217
RECORD_TITLE: CYCLOHEXYLACETIC 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$NAME: CYCLOHEXYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: COC(=O)CC(C1)CCCC1
CH$IUPAC: InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY IMXBRVLCKXGWSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60162451

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$SPLASH: splash10-00bc-9000000000-6ae9fad45b0a90df0df6
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  38 1.3 13
  39 14.2 142
  41 28.1 281
  42 0.3 3
  43 77.6 776
  44 3.3 33
  46 1 10
  50 0.16 2
  52 1.3 13
  53 8.4 84
  54 11.1 111
  55 4.67 47
  56 4 40
  66 1.6 16
  67 14.5 145
  68 0.44 4
  69 1.6 16
  74 84 840
  75 99.99 999
  76 0.5 5
  77 2 20
  79 4 40
  80 4.4 44
  81 1.28 13
  82 8.1 81
  83 8.4 84
  84 1 10
  87 0.2 2
  93 1.6 16
  94 1.6 16
  95 4.7 47
  96 0.2 2
  97 12.8 128
  98 1.3 13
  99 1.6 16
  113 0.57 6
  123 2 20
  124 2 20
  125 15.5 155
  126 0.16 2
  156 2.7 27
  157 1 10
//