ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009252
RECORD_TITLE: METHYL HENEICOSANOATE; 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$NAME: METHYL HENEICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY AJRICDSAJQHDSD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70209447

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$SPLASH: splash10-00bi-9000000000-f3fe63207f6b3fba2016
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  14 4.7 47
  15 1.6 16
  18 3.4 34
  27 0.39 4
  28 99.9 999
  29 12.92 129
  32 42.1 421
  39 0.3 3
  40 4.4 44
  41 32.3 323
  42 7.2 72
  43 5.27 53
  44 1.4 14
  45 1.2 12
  53 1.5 15
  54 0.21 2
  55 32.3 323
  56 7 70
  57 29.9 299
  58 0.16 2
  59 8.5 85
  60 1.1 11
  67 3.8 38
  68 0.22 2
  69 19.8 198
  70 3.5 35
  71 10.3 103
  73 0.25 3
  74 99.99 999
  75 26.4 264
  76 1.2 12
  81 0.37 4
  82 1.7 17
  83 11.6 116
  84 3.3 33
  85 0.43 4
  87 64.7 647
  88 4.9 49
  95 2.5 25
  96 0.12 1
  97 8.1 81
  98 2.9 29
  101 4.7 47
  109 0.12 1
  111 3 30
  115 1.9 19
  116 1 10
  125 0.15 2
  129 5 50
  130 1.6 16
  143 14.9 149
  144 0.14 1
  157 1.3 13
  185 2.4 24
  199 3.1 31
  241 0.26 3
  255 1.7 17
  297 6 60
  298 1.2 12
  309 2.4 24
//