ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002183
RECORD_TITLE: 19-METHYLEICOSANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 19-METHYLEICOSANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: COC(=O)CCCCCCCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24-3/h21H,4-20H2,1-3H3
CH$LINK: INCHIKEY CMVPFMWIPGEIMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20404485

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00dr-9210000000-8bbc2d09780f72030712
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  54 1.3 13
  55 31.5 315
  56 8.5 85
  57 3.09 31
  67 5.5 55
  68 1.3 13
  69 21 210
  70 0.23 2
  71 12.1 121
  74 99.99 999
  75 26.6 266
  81 0.55 6
  82 3.2 32
  83 12.1 121
  84 3.6 36
  85 0.69 7
  87 66.4 664
  88 6.5 65
  95 4.2 42
  96 0.13 1
  97 12.1 121
  98 4.6 46
  99 1.6 16
  101 1.05 11
  103 1.3 13
  109 2.6 26
  111 4.9 49
  115 0.29 3
  116 1.3 13
  121 1.6 16
  122 1.9 19
  123 0.13 1
  124 1.6 16
  125 2.9 29
  129 7.8 78
  130 0.26 3
  135 1.9 19
  136 1.3 13
  143 21 210
  144 0.19 2
  149 1.6 16
  157 3.9 39
  171 2.3 23
  172 0.16 2
  185 7.8 78
  197 1.3 13
  199 9.5 95
  200 0.23 2
  213 2.3 23
  225 1.3 13
  227 2.9 29
  228 0.16 2
  241 7.8 78
  242 1.9 19
  255 5.2 52
  256 0.16 2
  269 1.3 13
  283 1.6 16
  284 1.3 13
  291 0.13 1
  297 14.4 144
  298 2.3 23
  309 1.3 13
  311 0.19 2
  312 1.3 13
  340 17.1 171
  341 4.6 46
//