ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005132
RECORD_TITLE: 2-TRIDECYL-6-METHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-TRIDECYL-6-METHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H34O3
CH$EXACT_MASS: 334.25079
CH$SMILES: CCCCCCCCCCCCCc(c1)c(C(O)=O)c(OC)cc1
CH$IUPAC: InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(24-2)20(18)21(22)23/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)
CH$LINK: INCHIKEY DDGQLWOLBRRZGR-UHFFFAOYSA-N
AC$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: splash10-03ec-4902000000-53b1dedec19d88186905
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  39 5.06 51
  40 1.05 11
  41 31.4 314
  42 5.78 58
  43 43.13 431
  44 1.71 17
  51 2.19 22
  53 2.8 28
  54 1.4 14
  55 15.3 153
  56 3.62 36
  57 13.78 138
  63 1.32 13
  65 4.06 41
  66 1.4 14
  67 2.98 30
  68 1 10
  69 4.96 50
  70 1.24 12
  71 2.45 25
  76 1.1 11
  77 10.55 106
  78 4.91 49
  79 7.61 76
  80 1.03 10
  81 2.01 20
  83 1.52 15
  89 3.13 31
  90 8.12 81
  91 14.45 145
  92 2.72 27
  93 1.85 19
  94 1.6 16
  95 1.28 13
  97 1.19 12
  102 1.52 15
  103 6.94 69
  104 3.12 31
  105 10.2 102
  106 2.06 21
  107 9.69 97
  108 2.77 28
  109 2.28 23
  115 5.38 54
  116 2.28 23
  117 3.12 31
  118 5.66 57
  119 3.74 37
  120 2.16 22
  121 22.2 222
  122 15.05 151
  123 2.08 21
  127 1.32 13
  128 2.45 25
  129 2.73 27
  130 2.02 20
  131 4.35 44
  132 3.53 35
  133 6.51 65
  134 6 60
  135 8.92 89
  136 1.74 17
  144 1.87 19
  145 2.8 28
  146 5.84 58
  147 10.71 107
  148 20.93 209
  149 5.89 59
  150 4.29 43
  151 4.69 47
  152 1.28 13
  157 1.08 11
  158 1.73 17
  159 4.15 42
  160 4.54 45
  161 93.68 937
  162 22.93 229
  163 6.54 65
  164 2.43 24
  165 18.08 181
  166 40.26 403
  167 4.19 42
  171 1.52 15
  173 2.37 24
  174 3.51 35
  175 18.64 186
  176 6.7 67
  177 6.87 69
  178 3.27 33
  179 7.71 77
  180 1.24 12
  185 1.1 11
  187 1.68 17
  189 3.95 40
  190 3.88 39
  191 1.14 11
  199 1.5 15
  201 1.1 11
  203 2.66 27
  204 3.45 35
  207 1.23 12
  217 2.24 22
  231 1.39 14
  259 1.15 12
  273 1.28 13
  287 1.02 10
  290 2.09 21
  298 1.23 12
  299 1.58 16
  302 1.05 11
  315 1.78 18
  316 5.17 52
  317 7.55 76
  318 1.82 18
  320 1.55 16
  332 1 10
  333 1.38 14
  334 99.99 999
  335 24.41 244
  336 3.72 37
  337 0.44 4
//
