ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008991
RECORD_TITLE: CIS-3-HEXENYL 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$NAME: CIS-3-HEXENYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₃
CH$EXACT_MASS: 220.10994
CH$SMILES: CCC=CCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
CH$LINK: INCHIKEY IEPWIPZLLIOZLU-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID8037750

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$SPLASH: splash10-00yi-9300000000-fd064cad5f590089b816
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.27 13
  27 17.24 172
  29 6.37 64
  38 3.58 36
  39 46.76 468
  41 68.05 681
  42 4.28 43
  43 4.95 50
  50 1.94 19
  51 3.13 31
  52 1.66 17
  53 13.61 136
  54 8.34 83
  55 95.43 954
  56 3.49 35
  62 1.53 15
  63 9.66 97
  64 9.37 94
  65 43.23 432
  66 3.77 38
  67 67.76 678
  68 3.77 38
  69 1.23 12
  77 1.42 14
  79 2.04 20
  81 7.22 72
  82 94.81 948
  83 30.99 310
  84 1.67 17
  92 24.97 250
  93 18.69 187
  94 1.37 14
  120 99.99 999
  121 92.92 929
  122 7.49 75
  138 48.42 484
  139 8.87 89
  220 8.56 86
  221 1.16 12
//