ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006397
RECORD_TITLE: CIS-3-HEXENYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CIS-3-HEXENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCC=CCCOC(=O)CC
CH$IUPAC: InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
CH$LINK: INCHIKEY LGTLDEUQCOJGFP-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID6047579
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$SPLASH: splash10-0arr-9000000000-113566c588d8678c8221
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 1.67 17
  27 18.94 189
  28 3.6 36
  29 46.47 465
  30 1.09 11
  31 1.87 19
  39 13.21 132
  40 1.54 15
  41 21.27 213
  42 2.86 29
  43 1.37 14
  51 1.31 13
  53 5.13 51
  54 8.97 90
  55 11.56 116
  56 1.44 14
  57 99.99 999
  58 2.93 29
  65 1.28 13
  67 79.76 798
  68 5.33 53
  69 1.34 13
  81 5.78 58
  82 67.99 680
  83 6.07 61
  87 1.35 14
//
