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
//