ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002180
RECORD_TITLE: 16-METHYLHEPTADECANOIC 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$NAME: 16-METHYLHEPTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₂
CH$EXACT_MASS: 298.28718
CH$SMILES: COC(=O)CCCCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
CH$LINK: INCHIKEY KDQIFKKWPMBNOH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0071598

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$SPLASH: splash10-00dr-9200000000-b5765f5af3633a9b717c
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  44 7.2 72
  55 10.3 103
  56 19.3 193
  59 0.45 5
  67 1.8 18
  68 1.8 18
  69 14.4 144
  70 0.22 2
  71 6.3 63
  74 99.99 999
  75 18 180
  81 0.36 4
  82 2.2 22
  83 10.8 108
  84 3.6 36
  85 0.27 3
  87 53.1 531
  88 4 40
  93 1.8 18
  95 0.36 4
  97 7.6 76
  98 3.6 36
  100 2.2 22
  101 0.67 7
  102 2.7 27
  104 1.3 13
  106 2.2 22
  108 0.22 2
  109 2.2 22
  111 3.6 36
  112 1.3 13
  115 0.18 2
  120 2.7 27
  125 1.8 18
  129 6.3 63
  130 0.13 1
  141 1.8 18
  143 16.2 162
  144 3.1 31
  150 0.13 1
  157 3.6 36
  171 2.2 22
  172 1.3 13
  180 0.13 1
  184 1.8 18
  185 2.2 22
  199 8.1 81
  200 0.22 2
  204 1.3 13
  213 1.8 18
  225 1.3 13
  235 0.13 1
  242 1.3 13
  243 1.3 13
  249 1.3 13
  255 1.57 16
  256 2.7 27
  262 2.2 22
  267 1.8 18
  269 0.18 2
  298 5.8 58
  299 2.2 22
//