ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007113
RECORD_TITLE: CIS-3-PENTENOL; 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$NAME: CIS-3-PENTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCC(O)C=C
CH$IUPAC: InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
CH$LINK: CAS 616-25-1
CH$LINK: INCHIKEY VHVMXWZXFBOANQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70862293

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$SPLASH: splash10-0ar0-9000000000-060003f5465df3a7a553
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.33 33
  26 8.51 85
  27 56.36 564
  28 10.83 108
  29 67.44 674
  30 2.09 21
  31 64.09 641
  37 2.38 24
  38 6.48 65
  39 56.9 569
  40 9.87 99
  41 69.97 700
  42 8.02 80
  43 12.31 123
  44 14.56 146
  45 2.9 29
  49 1.28 13
  50 6.37 64
  51 8.25 83
  52 2.71 27
  53 26.74 267
  54 15.14 151
  55 99.99 999
  56 90.97 910
  57 20.34 203
  58 3.4 34
  65 1.33 13
  66 1.39 14
  67 22.83 228
  68 88.43 884
  69 5.69 57
  71 1.56 16
  86 6 60
//