ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002667
RECORD_TITLE: METHYL TETRACOSANOATE; 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$NAME: METHYL TETRACOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₀O₂
CH$EXACT_MASS: 382.38108
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
CH$LINK: INCHIKEY XUDJZDNUVZHSKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50179174

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$SPLASH: splash10-00di-9311000000-49a941ff39c1dfe81ed9
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  43 1.3 13
  55 6 60
  56 1.1 11
  57 0.73 7
  59 1.7 17
  67 2.7 27
  68 1.3 13
  69 1.11 11
  70 2.4 24
  71 9.3 93
  74 83.2 832
  75 26.8 268
  76 0.11 1
  79 1 10
  81 4.2 42
  82 2.4 24
  83 1.45 15
  84 5.7 57
  85 7.8 78
  88 8.2 82
  98 7.8 78
  99 2.9 29
  101 11.5 115
  102 0.12 1
  110 2.1 21
  111 9.5 95
  112 3 30
  113 0.22 2
  115 6.4 64
  116 0.3 3
  121 3.3 33
  125 7 70
  126 1.3 13
  127 1.5 15
  129 1.98 20
  130 6.1 61
  145 1 10
  151 1.4 14
  165 1 10
  191 1.9 19
  199 19.8 198
  200 3.5 35
  205 1 10
  207 0.7 7
  208 1.7 17
  209 0.15 2
  213 4.5 45
  214 0.12 1
  228 1.8 18
  242 1.9 19
  270 1.3 13
  283 15.6 156
  284 3.9 39
  298 0.21 2
  341 2.2 22
  354 1.8 18
  383 17.2 172
  384 2.8 28
//