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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010139

5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010139
RECORD_TITLE: 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5,9,13-TRIMETHYL-(8Z,12)-TETRADECADIENE-5-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H32O
CH$EXACT_MASS: 252.24532
CH$SMILES: CCCCC(C)(O)CCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C17H32O/c1-6-7-13-17(5,18)14-9-12-16(4)11-8-10-15(2)3/h10,12,18H,6-9,11,13-14H2,1-5H3/b16-12-
CH$LINK: INCHIKEY SKBMBPGXVLGRGO-VBKFSLOCSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-067i-9400000000-276c6fb4e589fe9f1a5b
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 4 40
  29 7 70
  39 4 40
  41 4.6 46
  42 2 20
  43 29 290
  45 10 100
  53 0.5 5
  55 26 260
  56 2 20
  57 13 130
  58 0.5 5
  59 4 40
  67 15 150
  68 10 100
  69 99.99 999
  70 6 60
  71 8 80
  79 3 30
  80 0.4 4
  81 70 700
  82 11 110
  83 15 150
  85 0.7 7
  91 2 20
  92 2 20
  93 17 170
  94 0.4 4
  95 41 410
  96 5 50
  97 7 70
  101 2.8 28
  107 9 90
  108 2 20
  109 44 440
  110 0.6 6
  111 2 20
  113 2 20
  121 13 130
  122 0.4 4
  123 22 220
  124 2 20
  125 2 20
  135 0.3 3
  136 17 170
  137 8 80
  139 2 20
  149 0.3 3
  151 2 20
  152 2 20
  165 38 380
  166 0.6 6
  177 15 150
  178 2 20
  191 8 80
  219 0.2 2
  234 17 170
  235 2 20
//

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