ACCESSION: MSBNK-Kazusa-KZ000251
RECORD_TITLE: Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:87
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01625_P000137

CH$NAME: Nonadecanoic acid methyl ester
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂₀H₄₀O₂
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
CH$LINK: CAS 1731-94-8
CH$LINK: INCHIKEY BDXAHSJUDUZLDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40169524

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2352.2
AC$CHROMATOGRAPHY: RETENTION_TIME 1048.81 sec

MS$FOCUSED_ION: BASE_PEAK 87
MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-000i-9610000000-c1234311168d69a8a44d
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  82 28 28
  83 189 189
  84 59 59
  85 55 55
  86 1 1
  87 999 999
  88 73 73
  91 3 3
  92 3 3
  93 27 27
  94 5 5
  95 79 79
  96 25 25
  97 170 170
  98 77 77
  99 27 27
  100 8 8
  101 177 177
  102 18 18
  103 7 7
  106 2 2
  107 22 22
  108 3 3
  109 54 54
  110 11 11
  111 78 78
  112 7 7
  113 12 12
  114 3 3
  115 64 64
  116 18 18
  117 1 1
  118 1 1
  119 4 4
  121 29 29
  122 4 4
  123 19 19
  124 3 3
  125 34 34
  127 11 11
  128 1 1
  129 143 143
  130 21 21
  131 5 5
  133 2 2
  134 2 2
  135 6 6
  137 12 12
  138 6 6
  139 18 18
  140 2 2
  141 4 4
  143 307 307
  144 22 22
  145 2 2
  149 6 6
  151 1 1
  152 4 4
  153 9 9
  157 78 78
  158 12 12
  159 1 1
  161 1 1
  163 5 5
  164 1 1
  167 2 2
  171 31 31
  175 1 1
  177 4 4
  179 1 1
  180 1 1
  181 1 1
  183 1 1
  185 29 29
  186 6 6
  196 2 2
  198 1 1
  199 65 65
  213 70 70
  214 4 4
  215 3 3
  227 24 24
  231 1 1
  238 2 2
  241 17 17
  242 2 2
  247 2 2
  254 1 1
  255 27 27
  256 5 5
  269 102 102
  270 13 13
  278 1 1
  281 24 24
  282 1 1
  283 15 15
  284 2 2
  311 2 2
  312 55 55
  313 12 12
//