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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005343

(Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005343
RECORD_TITLE: (Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER; 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$NAME: (Z,Z)-9,12-OCTADECADIENOIC ACID METHYL ESTER
CH$NAME: METHYL LINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H34O2
CH$EXACT_MASS: 294.25588
CH$SMILES: CCCCCC([H])=C([H])CC([H])=C([H])CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
CH$LINK: INCHIKEY WTTJVINHCBCLGX-NQLNTKRDSA-N
CH$LINK: COMPTOX DTXSID7020843

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00lr-9300000000-28976de1cd1206f68813
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  40 2.82 28
  41 5.04 50
  54 24.93 249
  55 29.57 296
  57 6.31 63
  59 2.22 22
  67 80.94 809
  68 49.19 492
  69 21.85 219
  71 4.27 43
  74 3.83 38
  79 16.92 169
  80 17.27 173
  81 99.99 999
  82 50.83 508
  83 23.71 237
  85 2.55 26
  87 3.27 33
  93 7.02 70
  94 11.19 112
  95 46.77 468
  96 30.58 306
  97 10 100
  98 1.76 18
  99 1.4 14
  107 9.92 99
  108 11.27 113
  109 26.24 262
  110 20.06 201
  111 2.47 25
  115 3.04 30
  121 4.59 46
  122 8.65 87
  123 14.61 146
  124 7.78 78
  125 2.32 23
  131 3.87 39
  133 3.95 40
  134 1.07 11
  135 4.82 48
  136 8.76 88
  138 6.17 62
  139 1.19 12
  140 1.03 10
  141 2.9 29
  149 8.93 89
  150 12.23 122
  151 7.04 70
  152 3.82 38
  163 1.77 18
  164 5.88 59
  165 2.84 28
  177 2.13 21
  178 4.42 44
  179 1.36 14
  262 7.17 72
  263 4.59 46
  294 13.06 131
  295 1.59 16
//

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