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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011407

3-ETHENYL-2,5-DIPROPYLTETRAHYDROFURAN; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011407
RECORD_TITLE: 3-ETHENYL-2,5-DIPROPYLTETRAHYDROFURAN; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-ETHENYL-2,5-DIPROPYLTETRAHYDROFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: CCCC(C1)OC(CCC)C(C=C)1
CH$IUPAC: InChI=1S/C12H22O/c1-4-7-11-9-10(6-3)12(13-11)8-5-2/h6,10-12H,3-5,7-9H2,1-2H3
CH$LINK: INCHIKEY RGUDGBPPEKIZQX-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-090s-5900000000-f82b4adede6c63dc6093
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43 4.9 49
  54 5.3 53
  55 23.4 234
  57 7.9 79
  67 9.6 96
  68 5.3 53
  69 42.9 429
  70 2.9 29
  71 28.8 288
  72 2.1 21
  73 17.2 172
  81 19.1 191
  82 4.8 48
  83 18.6 186
  95 62.9 629
  96 6.1 61
  97 16 160
  99 2.5 25
  101 10.5 105
  107 2.1 21
  109 38.6 386
  110 20.5 205
  111 99.99 999
  112 11 110
  113 6.9 69
  115 8.1 81
  121 2.5 25
  123 14.2 142
  127 2.7 27
  137 2.7 27
  139 33 330
  140 4 40
  163 5 50
  165 69.6 696
  166 11.6 116
  181 13.4 134
  182 2 20
  183 72.8 728
  184 11.3 113
  185 2.6 26
//

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