ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010891
RECORD_TITLE: TRANS-2-HEXENYL HEPTANOATE; 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$NAME: TRANS-2-HEXENYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCCC(=O)OCC=CCCC
CH$IUPAC: InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+
CH$LINK: INCHIKEY QZZLOJKCWGHIFS-CSKARUKUSA-N

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$SPLASH: splash10-01ox-9200000000-47bfa7c8aa95974b8393
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 19.7 197
  29 20.7 207
  38 1 10
  39 20.1 201
  41 58.8 588
  42 10 100
  43 77.3 773
  44 2 20
  45 1.5 15
  50 1.3 13
  51 1.9 19
  52 1.4 14
  53 6.8 68
  54 13.4 134
  55 51.3 513
  56 6.1 61
  57 18.2 182
  58 1.1 11
  60 3.3 33
  65 2.4 24
  66 1.2 12
  67 42.8 428
  68 3.3 33
  69 6.8 68
  70 2.8 28
  71 1.8 18
  73 1.7 17
  77 1 10
  79 1.8 18
  81 4.6 46
  82 37.6 376
  83 27.4 274
  84 3.1 31
  85 30.3 303
  86 1.8 18
  87 1.7 17
  95 3 30
  99 3.7 37
  100 4 40
  111 2.6 26
  113 99.99 999
  114 6 60
  130 1.2 12
  131 1.7 17
  155 1.6 16
  183 2.1 21
  212 2.5 25
//