ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000808
RECORD_TITLE: 11-EICOSENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 11-EICOSENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₂
CH$EXACT_MASS: 324.30283
CH$SMILES: CCCCCCCCC=CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+
CH$LINK: CAS 3946-08-5
CH$LINK: INCHIKEY RBKMRGOHCLRTLZ-ZHACJKMWSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-05mo-9100000000-fa5288e8aa40ecc6ee17
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  39 15 150
  41 99.99 999
  42 7.2 72
  43 54.6 546
  53 9.2 92
  54 27.4 274
  55 78.8 788
  57 39.4 394
  58 1.8 18
  59 22.4 224
  65 3.8 38
  66 2.8 28
  67 38.7 387
  68 21.1 211
  69 75.6 756
  70 18.7 187
  71 13.5 135
  72 0.9 9
  73 2.6 26
  74 60.3 603
  75 9.3 93
  77 0.9 9
  79 9.1 91
  80 5.5 55
  81 30.2 302
  82 20.4 204
  83 54.8 548
  84 31.5 315
  85 7.5 75
  87 40.5 405
  88 3.8 38
  91 2.4 24
  93 5.7 57
  94 5.2 52
  95 25.9 259
  96 36.7 367
  97 43.4 434
  98 25.3 253
  105 0.6 6
  107 3 30
  108 3.2 32
  109 14 140
  110 16.8 168
  111 19.1 191
  112 7.2 72
  113 1.9 19
  115 6.1 61
  119 2.2 22
  121 3.7 37
  123 11.1 111
  124 9.3 93
  125 9.1 91
  127 0.6 6
  128 3.9 39
  129 2.4 24
  133 1.6 16
  134 1.3 13
  135 3.7 37
  137 5.6 56
  138 5.1 51
  139 5.8 58
  141 4.1 41
  143 2.2 22
  147 1.7 17
  149 1.9 19
  151 4.2 42
  152 5 50
  153 3.8 38
  165 0.8 8
  166 2.5 25
  167 1.6 16
  179 0.9 9
  180 0.8 8
  181 1.3 13
  194 2.4 24
  208 5.5 55
  209 1.2 12
  248 1.4 14
  249 1.1 11
  250 6 60
  292 19.4 194
  293 9.3 93
  324 0.9 9
//