ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008491
RECORD_TITLE: CIS-3-HEXENYL BENZOATE; 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$NAME: CIS-3-HEXENYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₂
CH$EXACT_MASS: 204.11503
CH$SMILES: CCC=CCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
CH$LINK: INCHIKEY BCOXBEHFBZOJJZ-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID3047554

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$SPLASH: splash10-0arr-9200000000-81473c0496fc70351f74
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  16 1.22 12
  27 7.66 77
  29 3.06 31
  39 11.17 112
  41 17.32 173
  42 2.06 21
  50 4.67 47
  51 19.91 199
  52 1.66 17
  53 4.18 42
  54 5.51 55
  55 4.89 49
  65 1.65 17
  66 1.05 11
  67 63.27 633
  68 3.4 34
  75 1.22 12
  76 3.06 31
  77 61.22 612
  78 3.79 38
  79 2.31 23
  81 4.06 41
  82 97.45 975
  83 5.33 53
  105 99.99 999
  106 6.13 61
  123 3.76 38
//