ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009245
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEXENYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₃
CH$EXACT_MASS: 220.10994
CH$SMILES: CCCC=CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+
CH$LINK: INCHIKEY DLWPCXLFHSLSMZ-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID80887179

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$SPLASH: splash10-0613-9300000000-185d790c7be3e8b2b686
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 19.7 197
  29 11.3 113
  38 0.26 3
  39 40.7 407
  41 64.3 643
  42 6 60
  43 0.42 4
  50 1.7 17
  51 2.5 25
  52 1.5 15
  53 1.13 11
  54 16.6 166
  55 72.2 722
  56 2.7 27
  57 0.15 2
  62 1.3 13
  63 7.5 75
  64 7.6 76
  65 2.59 26
  66 2.5 25
  67 51.8 518
  68 2.4 24
  77 0.13 1
  79 1.4 14
  81 6 60
  82 84.9 849
  83 1.66 17
  92 20.2 202
  93 10.2 102
  120 99.99 999
  121 4.08 41
  122 2.7 27
  138 40.9 409
  139 8.6 86
  220 2.5 25
//