ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006466
RECORD_TITLE: CIS-3-HEXENYL FORMATE; 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$NAME: CIS-3-HEXENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: CCC=CCCOC=O
CH$IUPAC: InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
CH$LINK: INCHIKEY XJHQVZQZUGLZLS-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID1047572

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$SPLASH: splash10-0159-9000000000-1c09c0f93f23217a1899
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.07 11
  27 12.71 127
  28 2.18 22
  29 12.2 122
  31 16.13 161
  38 1.34 13
  39 19.91 199
  40 3.5 35
  41 48.33 483
  42 6.93 69
  43 2.99 30
  50 1.55 16
  51 2.15 22
  52 1.16 12
  53 8.98 90
  54 12.62 126
  55 15.44 154
  56 1.56 16
  57 2.49 25
  65 1.96 20
  66 1.19 12
  67 99.99 999
  68 6.42 64
  69 7.63 76
  79 1.3 13
  81 7.41 74
  82 54.75 548
  83 5.07 51
//