ACCESSION: MSBNK-Kazusa-KZ000252
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_04318_P000027

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 822.205 sec

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

PK$SPLASH: splash10-05g3-9100000000-21def654a21d7270f3da
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  37 1 1
  38 4 4
  39 48 48
  40 10 10
  41 364 364
  42 98 98
  43 471 471
  44 2 2
  45 4 4
  47 1 1
  52 1 1
  53 19 19
  54 25 25
  55 293 293
  56 78 78
  57 213 213
  58 12 12
  59 55 55
  61 2 2
  65 1 1
  66 6 6
  67 61 61
  68 11 11
  69 142 142
  70 30 30
  71 82 82
  72 6 6
  73 38 38
  74 999 999
  75 160 160
  76 2 2
  77 6 6
  78 1 1
  79 16 16
  80 2 2
  81 25 25
  82 17 17
  83 149 149
  84 42 42
  85 56 56
  86 3 3
  87 645 645
  88 46 46
  89 5 5
  91 2 2
  92 1 1
  93 7 7
  94 1 1
  95 34 34
  96 11 11
  97 80 80
  98 35 35
  99 12 12
  100 5 5
  101 66 66
  102 6 6
  105 2 2
  107 5 5
  109 16 16
  110 6 6
  111 28 28
  112 9 9
  113 4 4
  115 15 15
  116 11 11
  120 1 1
  121 5 5
  123 5 5
  124 4 4
  125 10 10
  126 1 1
  127 1 1
  129 42 42
  130 6 6
  135 6 6
  136 1 1
  137 3 3
  138 3 3
  139 6 6
  141 1 1
  143 110 110
  144 13 13
  149 2 2
  151 1 1
  152 3 3
  153 3 3
  154 1 1
  155 1 1
  157 17 17
  158 7 7
  159 1 1
  163 2 2
  164 1 1
  168 1 1
  171 11 11
  172 1 1
  177 1 1
  181 1 1
  183 1 1
  185 20 20
  186 1 1
  196 1 1
  199 30 30
  200 1 1
  205 1 1
  211 1 1
  213 36 36
  214 1 1
  222 1 1
  223 1 1
  227 16 16
  230 1 1
  237 2 2
  238 2 2
  241 5 5
  255 8 8
  256 1 1
  257 1 1
  268 1 1
  269 28 28
  270 7 7
  271 2 2
  272 1 1
  281 12 12
  282 4 4
  283 2 2
  311 6 6
  312 92 92
  313 17 17
  314 2 2
//