ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008101
RECORD_TITLE: 2-METHOXY-6-TETRADECYLBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHOXY-6-TETRADECYLBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H36O3
CH$EXACT_MASS: 348.26645
CH$SMILES: CCCCCCCCCCCCCCc(c1)c(C(O)=O)c(OC)cc1
CH$IUPAC: InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(25-2)21(19)22(23)24/h15,17-18H,3-14,16H2,1-2H3,(H,23,24)
CH$LINK: INCHIKEY DISDVNGQYZSKAL-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-03di-1901000000-d46979952bd3411bebe4
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  39 0.92 9
  41 8.49 85
  42 0.82 8
  43 9.61 96
  44 2.32 23
  51 0.38 4
  52 0.36 4
  53 0.52 5
  55 4.12 41
  65 1.22 12
  66 0.66 7
  67 0.32 3
  77 4.23 42
  78 1.53 15
  79 3.94 39
  89 1.01 10
  90 4.38 44
  91 8.21 82
  92 1.54 15
  102 0.5 5
  103 3.37 34
  104 1.74 17
  105 3.52 35
  106 0.66 7
  107 5.97 60
  108 3.73 37
  115 3.02 30
  116 0.78 8
  117 1.83 18
  118 1.34 13
  119 1.32 13
  120 1.21 12
  121 14.39 144
  122 21.2 212
  123 1.23 12
  127 0.37 4
  128 1.25 13
  129 1.17 12
  130 1.53 15
  131 2.86 29
  132 3.34 33
  133 4.52 45
  134 3.43 34
  135 6.28 63
  136 0.74 7
  144 1.42 14
  145 1.86 19
  146 4.05 41
  147 7.84 78
  148 17.03 170
  150 3.79 38
  151 3.46 35
  152 0.32 3
  153 0.6 6
  156 0.55 6
  158 1.11 11
  159 3.64 36
  160 4.46 45
  161 99.99 999
  162 24.13 241
  163 7.58 76
  164 4.03 40
  165 15.12 151
  166 46.19 462
  167 3.9 39
  168 0.53 5
  171 0.88 9
  172 0.98 10
  173 1.93 19
  174 6.86 69
  175 21.54 215
  176 7.67 77
  177 19.11 191
  178 3.71 37
  179 7.98 80
  180 1.18 12
  184 0.38 4
  185 0.72 7
  186 0.57 6
  187 1.88 19
  188 0.98 10
  189 3.82 38
  190 5.29 53
  191 1.68 17
  192 0.78 8
  198 0.34 3
  199 1.27 13
  200 0.61 6
  201 1.11 11
  202 0.52 5
  203 3.25 33
  204 8.08 81
  205 1.11 11
  206 0.54 5
  207 1.42 14
  208 0.68 7
  213 0.56 6
  214 0.39 4
  215 0.74 7
  216 0.32 3
  217 2.33 23
  218 0.9 9
  220 0.32 3
  221 0.52 5
  227 0.33 3
  229 0.37 4
  231 1.46 15
  232 0.5 5
  233 0.38 4
  245 0.66 7
  247 0.35 4
  259 0.54 5
  273 0.67 7
  274 0.36 4
  277 0.34 3
  278 0.37 4
  287 1.12 11
  288 0.3 3
  289 0.31 3
  290 0.67 7
  291 0.34 3
  301 1.11 11
  302 0.96 10
  303 1.27 13
  304 2.96 30
  305 0.83 8
  312 1.43 14
  313 0.79 8
  314 0.42 4
  315 0.83 8
  316 0.32 3
  329 1.52 15
  330 5.66 57
  331 6.99 70
  332 2.03 20
  333 0.76 8
  346 3.32 33
  347 1.36 14
  348 29.04 290
  349 7.26 73
  350 1.22 12
//
