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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008129

(7Z,11Z)-7,11-HEXADECADIENOL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008129
RECORD_TITLE: (7Z,11Z)-7,11-HEXADECADIENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (7Z,11Z)-7,11-HEXADECADIENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O
CH$EXACT_MASS: 238.22967
CH$SMILES: OCCCCCCC([H])=C([H])CCC([H])=C([H])CCCC
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3/b6-5+,10-9-
CH$LINK: INCHIKEY ZWMPSFHVSWYKPO-QMRMAQATSA-N

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$SPLASH: splash10-0apj-9000000000-4be0694bd51fb65df73b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  41 48.52 485
  42 3.9 39
  43 15.14 151
  51 1.13 11
  52 1.63 16
  53 9.2 92
  54 27.06 271
  55 99.99 999
  56 2.83 28
  57 9.11 91
  65 2.6 26
  66 2.54 25
  67 60.11 601
  68 16.46 165
  69 22.62 226
  70 8.14 81
  71 4.69 47
  73 2.46 25
  77 1.75 18
  79 11.07 111
  80 10.61 106
  81 64.37 644
  82 30.27 303
  83 9.9 99
  84 3.3 33
  85 3.58 36
  91 3.09 31
  93 6.02 60
  94 2.13 21
  95 26.71 267
  96 30.49 305
  97 19.18 192
  98 3.12 31
  99 2.17 22
  107 3.3 33
  109 5.46 55
  110 4.92 49
  111 2.25 23
  121 2.73 27
  122 1.79 18
  123 8.9 89
  124 4.06 41
  136 1.37 14
  137 3.21 32
  138 2.65 27
  163 1.01 10
  168 1.07 11
  222 1.01 10
  238 5.22 52
//

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