ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002666
RECORD_TITLE: METHYL DOCOSANOATE; 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$NAME: METHYL DOCOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₆O₂
CH$EXACT_MASS: 354.34978
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY QSQLTHHMFHEFIY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6029206

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$SPLASH: splash10-000i-9623000000-d9723fa66129f73c20c4
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  59 1.8 18
  67 2.1 21
  68 1.3 13
  69 1.05 11
  70 2.4 24
  71 7.2 72
  73 2.4 24
  74 8.68 87
  75 24.8 248
  82 2.1 21
  83 13.9 139
  84 5.6 56
  85 0.62 6
  87 99.99 999
  88 8.2 82
  95 4.4 44
  96 2.1 21
  97 16.4 164
  98 0.76 8
  99 2.5 25
  101 12.4 124
  102 0.14 1
  111 9.3 93
  112 2.8 28
  113 1.6 16
  115 0.63 6
  116 2.9 29
  123 3.4 34
  124 1.4 14
  125 7 70
  126 0.11 1
  127 1.5 15
  129 21.4 214
  130 0.58 6
  139 4.8 48
  144 7.2 72
  163 2 20
  165 1.1 11
  167 0.29 3
  171 5.4 54
  172 1.9 19
  177 1.6 16
  181 0.22 2
  185 15.8 158
  186 3.9 39
  191 1.7 17
  193 0.1 1
  195 1.7 17
  199 26.9 269
  200 4.5 45
  205 0.14 1
  207 2.2 22
  214 0.19 2
  223 1.3 13
  227 5.9 59
  228 0.14 1
  255 25.8 258
  256 0.52 5
  269 12.9 129
  270 0.27 3
  283 3.7 37
  284 1.1 11
  297 8.5 85
  298 0.27 3
  313 1.9 19
  320 1.2 12
  321 0.13 1
  323 17.1 171
  324 4.1 41
  325 12.5 125
  326 0.33 3
  354 8.42 84
  355 21.3 213
  356 3.2 32
  357 0.3 3
//