ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002179
RECORD_TITLE: 15-METHYLHEXADECANOIC 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$NAME: 15-METHYLHEXADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: COC(=O)CCCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3
CH$LINK: INCHIKEY BNHKXOIJKIMOJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10334924
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$SPLASH: splash10-00dr-9110000000-2928094e268aec8c5f34
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  43 2 20
  53 1.1 11
  54 1.3 13
  55 2.56 26
  56 2.4 24
  57 9.9 99
  59 5.1 51
  67 0.24 2
  68 1.8 18
  69 12.8 128
  70 1.8 18
  71 0.31 3
  73 1.5 15
  74 99.99 999
  75 22.5 225
  77 0.18 2
  79 1.5 15
  81 3.6 36
  83 9.9 99
  84 0.2 2
  85 1.5 15
  87 70.4 704
  88 5.4 54
  95 0.31 3
  97 9.4 94
  98 2.9 29
  99 1.1 11
  101 0.78 8
  109 1.1 11
  111 3.3 33
  120 1.3 13
  123 0.2 2
  125 2.2 22
  129 5.8 58
  130 1.5 15
  138 0.15 2
  143 20.2 202
  144 1.3 13
  157 2.7 27
  171 0.24 2
  172 1.3 13
  184 2.7 27
  185 4.7 47
  199 0.92 9
  200 1.3 13
  213 2.4 24
  216 1.1 11
  227 0.27 3
  229 1.1 11
  241 15 150
  242 2.9 29
  243 0.11 1
  253 1.5 15
  255 2 20
  284 9.2 92
  285 2 20
//
