ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006517
RECORD_TITLE: CYCLOHEXYL PENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOHEXYL PENTANOATE
CH$NAME: CYCLOHEXYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY YLCHTSSXNSNXSW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10165811

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$SPLASH: splash10-0pc9-9100000000-97888717f3890d192d1b
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 1.47 15
  26 1.51 15
  27 21.07 211
  29 35.28 353
  30 1.2 12
  31 1.38 14
  39 17.75 178
  41 68.06 681
  42 9.79 98
  43 7.48 75
  44 1.72 17
  45 1.73 17
  51 1.83 18
  53 6.09 61
  54 18.81 188
  55 63.83 638
  56 7.6 76
  57 84.72 847
  58 6.01 60
  59 1.7 17
  60 14.56 146
  61 2.92 29
  66 1.62 16
  67 67.76 678
  68 3.73 37
  69 1.52 15
  71 1.51 15
  73 6.01 60
  74 1.19 12
  75 2.08 21
  77 1.56 16
  79 2.73 27
  80 1.02 10
  81 9.81 98
  82 99.99 999
  83 42.79 428
  84 4.47 45
  85 93.15 932
  86 4.75 48
  87 1.76 18
  99 7.06 71
  100 3.01 30
  101 1.59 16
  102 17.06 171
  103 97.58 976
  104 4.49 45
  124 1.54 15
  127 1.9 19
  141 1.97 20
  142 1.03 10
//