ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008533
RECORD_TITLE: TRANS-2-HEPTENYL ACETATE; 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$NAME: TRANS-2-HEPTENYL ACETATE
CH$NAME: ACETIC ACID TRANS-2-HEPTENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCC=CCOC(C)=O
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+
CH$LINK: INCHIKEY AWCPMVVOGVEPRC-VOTSOKGWSA-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$SPLASH: splash10-0006-9000000000-0d9b135bf773498753dd
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 3.59 36
  27 10.79 108
  29 6.16 62
  39 12.19 122
  40 1.54 15
  41 18.51 185
  42 4.77 48
  43 99.99 999
  44 3.14 31
  53 5.16 52
  54 29.61 296
  55 22.11 221
  56 1.93 19
  57 9.59 96
  58 1.79 18
  61 1.58 16
  67 13.12 131
  68 6.41 64
  69 1.95 20
  70 2.7 27
  71 5.66 57
  72 3.26 33
  81 16.22 162
  85 1.56 16
  86 1.26 13
  95 2.11 21
  96 15.72 157
  97 2.99 30
  99 1.78 18
  100 1.88 19
  113 2.9 29
  114 11.15 112
//