ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002182
RECORD_TITLE: 18-METHYLNONADECANOIC 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$NAME: 18-METHYLNONADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H42O2
CH$EXACT_MASS: 326.31848
CH$SMILES: COC(=O)CCCCCCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21(22)23-3/h20H,4-19H2,1-3H3
CH$LINK: INCHIKEY IVHQIMJNEKWLSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30336243
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$SPLASH: splash10-00g0-9210000000-ba013b95508c28e6474f
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  43 3.1 31
  44 1 10
  54 2 20
  55 3.6 36
  56 9.7 97
  57 36.3 363
  60 1 10
  67 0.45 5
  68 2 20
  69 23.4 234
  70 2.7 27
  71 1.29 13
  73 1 10
  74 99.99 999
  75 33.9 339
  77 0.17 2
  79 1.7 17
  81 4.1 41
  82 2 20
  83 1.36 14
  84 4.1 41
  85 5.9 59
  87 83.5 835
  88 0.62 6
  91 1 10
  93 2 20
  95 3.4 34
  97 1.43 14
  98 4.1 41
  99 3.1 31
  101 9 90
  102 0.13 1
  108 1.7 17
  109 3.4 34
  111 6.6 66
  112 0.1 1
  113 2 20
  115 3.1 31
  118 1 10
  119 0.1 1
  121 2 20
  123 1.7 17
  125 3.1 31
  129 0.83 8
  130 2.7 27
  134 1 10
  135 1 10
  136 0.1 1
  139 2.4 24
  143 27.9 279
  144 3.8 38
  149 0.1 1
  150 1.3 13
  156 1 10
  157 4.8 48
  171 0.59 6
  172 2.4 24
  185 6.2 62
  186 1.3 13
  199 1.04 10
  200 2.4 24
  210 1 10
  213 2.7 27
  214 0.2 2
  221 1 10
  224 1 10
  225 1 10
  227 0.87 9
  228 2.4 24
  237 1 10
  241 6.6 66
  242 0.17 2
  253 1 10
  255 4.5 45
  256 1.3 13
  262 0.13 1
  269 1.7 17
  270 1.3 13
  271 1.7 17
  277 0.2 2
  278 1 10
  279 1 10
  283 13.6 136
  284 0.34 3
  295 2 20
  297 1 10
  326 18.1 181
  327 0.45 5
  328 1 10
//
