ACCESSION: MSBNK-Kazusa-KZ000253
RECORD_TITLE: Nonadecanoic acid methyl ester; GC-EI-TOF; MS; 0 TMS; BP:74
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_04544_P000107

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 2122.92 sec

MS$FOCUSED_ION: BASE_PEAK 74
MS$FOCUSED_ION: DERIVATIVE_TYPE 0 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-059f-9100000000-924699727e7fc40d182d
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
  37 1 1
  38 3 3
  39 44 44
  40 11 11
  41 337 337
  42 71 71
  43 436 436
  44 27 27
  45 24 24
  50 2 2
  51 5 5
  52 2 2
  53 44 44
  54 37 37
  55 385 385
  56 100 100
  57 256 256
  58 14 14
  59 67 67
  60 5 5
  61 3 3
  65 6 6
  66 3 3
  67 37 37
  68 26 26
  69 167 167
  70 42 42
  71 93 93
  72 9 9
  73 23 23
  74 999 999
  75 288 288
  76 11 11
  77 5 5
  78 2 2
  79 16 16
  80 6 6
  81 68 68
  82 26 26
  83 170 170
  84 45 45
  85 63 63
  86 5 5
  87 814 814
  88 77 77
  89 6 6
  91 4 4
  92 1 1
  93 19 19
  94 4 4
  95 53 53
  96 21 21
  97 120 120
  98 40 40
  99 16 16
  100 5 5
  101 110 110
  102 13 13
  103 1 1
  105 1 1
  107 13 13
  108 2 2
  109 23 23
  110 7 7
  111 55 55
  112 10 10
  113 9 9
  114 2 2
  115 32 32
  116 17 17
  117 1 1
  121 14 14
  122 2 2
  123 13 13
  124 4 4
  125 19 19
  126 4 4
  127 4 4
  128 1 1
  129 87 87
  130 26 26
  131 2 2
  135 10 10
  136 1 1
  137 6 6
  138 3 3
  139 11 11
  140 2 2
  141 2 2
  143 241 241
  144 27 27
  145 2 2
  149 6 6
  150 1 1
  151 2 2
  152 1 1
  153 4 4
  154 1 1
  155 1 1
  157 50 50
  158 8 8
  163 3 3
  165 1 1
  167 3 3
  171 33 33
  172 7 7
  177 1 1
  181 1 1
  185 39 39
  186 8 8
  191 1 1
  195 1 1
  199 57 57
  200 9 9
  209 1 1
  210 1 1
  213 41 41
  214 7 7
  215 1 1
  226 1 1
  227 21 21
  228 3 3
  238 1 1
  240 1 1
  241 11 11
  242 3 3
  254 1 1
  255 18 18
  256 4 4
  257 1 1
  261 1 1
  268 4 4
  269 45 45
  270 10 10
  271 2 2
  280 2 2
  281 14 14
  282 3 3
  283 7 7
  284 3 3
  311 10 10
  312 81 81
  313 17 17
  314 1 1
//