ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009253
RECORD_TITLE: METHYL DOCOSANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00du-9000000000-f3512c578e91df42b926
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 1.4 14
  27 4.5 45
  29 10.3 103
  39 0.29 3
  41 31.5 315
  42 7 70
  43 51.4 514
  44 0.12 1
  45 1.3 13
  53 1.6 16
  54 2.2 22
  55 3.24 32
  56 7.8 78
  57 31.8 318
  58 1.5 15
  59 0.79 8
  60 1.6 16
  67 4.9 49
  68 2.7 27
  69 2.62 26
  70 4.5 45
  71 11.6 116
  73 2.9 29
  74 99.99 999
  75 28.5 285
  76 1.2 12
  79 1.1 11
  81 0.67 7
  82 1.9 19
  83 12.1 121
  84 3.5 35
  85 0.58 6
  87 64.7 647
  88 5.6 56
  93 1.2 12
  95 0.3 3
  96 1.4 14
  97 8.8 88
  98 3.1 31
  101 0.57 6
  109 1.6 16
  111 3 30
  115 1.9 19
  121 0.12 1
  123 1 10
  125 1.6 16
  129 5.9 59
  130 0.16 2
  137 1 10
  143 15 150
  144 1.4 14
  157 0.14 1
  185 1.9 19
  199 2.8 28
  255 2.2 22
  269 1.1 11
//