ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002181
RECORD_TITLE: 17-METHYLOCTADECANOIC 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$NAME: 17-METHYLOCTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: COC(=O)CCCCCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
CH$LINK: INCHIKEY MASZVQKLIMRPFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60339161
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$SPLASH: splash10-00dr-9210000000-9b1214cf902bc9d2ee7f
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  42 9.2 92
  43 3.3 33
  44 18.4 184
  55 3.27 33
  56 5.8 58
  57 34.4 344
  67 5 50
  69 2.35 24
  71 13.4 134
  74 99.99 999
  75 34.4 344
  81 0.42 4
  82 2.5 25
  83 15.1 151
  84 2.5 25
  85 0.58 6
  87 89 890
  88 6.7 67
  92 3.3 33
  93 0.33 3
  95 9.2 92
  97 14.2 142
  98 4.2 42
  99 0.25 3
  101 11.7 117
  108 2.5 25
  109 3.3 33
  111 0.5 5
  113 2.5 25
  120 2.5 25
  129 10 100
  135 0.33 3
  139 3.3 33
  143 26 260
  150 3.3 33
  157 0.92 9
  171 4.2 42
  172 3.3 33
  177 4.2 42
  182 0.25 3
  185 4.2 42
  194 2.5 25
  195 5 50
  198 0.25 3
  199 8.4 84
  200 5 50
  203 5 50
  213 0.58 6
  214 3.3 33
  221 2.5 25
  223 2.5 25
  227 0.58 6
  228 2.5 25
  241 5.8 58
  242 2.5 25
  255 0.5 5
  256 2.5 25
  269 11.7 117
  270 4.2 42
  281 0.5 5
  283 5 50
  312 13.4 134
  313 5 50
//
