ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009244
RECORD_TITLE: CYCLOHEXYL SALICYLATE; 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$NAME: CYCLOHEXYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₃
CH$EXACT_MASS: 220.10994
CH$SMILES: C(C2)CCC(C2)OC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H16O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2
CH$LINK: INCHIKEY NUQDJSMHGCTKNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051928

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$SPLASH: splash10-00di-6900000000-39c38e95c3fd3f8a2f99
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 7.4 74
  29 2.4 24
  38 1.4 14
  39 2.01 20
  41 24.4 244
  42 1.9 19
  43 1.8 18
  51 0.12 1
  53 4.9 49
  54 8.2 82
  55 26.1 261
  56 0.14 1
  63 4 40
  64 4.4 44
  65 16.1 161
  66 0.16 2
  67 18.4 184
  79 1.4 14
  81 4.1 41
  82 0.47 5
  83 3.8 38
  92 13.7 137
  93 7 70
  120 99.99 999
  121 33.1 331
  122 2.3 23
  138 64.9 649
  139 1.02 10
  220 7 70
  221 1.1 11
//