ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005131
RECORD_TITLE: 2-TRIDECYL-6-HYDROXYBENZOIC 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$NAME: 2-TRIDECYL-6-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H32O3
CH$EXACT_MASS: 320.23514
CH$SMILES: CCCCCCCCCCCCCc(c1)c(C(O)=O)c(O)cc1
CH$IUPAC: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)
CH$LINK: INCHIKEY VEPUCZUJLKAVNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10174105
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$SPLASH: splash10-0596-5912000000-e3210e2a3d493d9d31eb
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  39 9.85 99
  40 1.76 18
  41 50.92 509
  42 8.76 88
  43 61.24 612
  44 3.41 34
  45 1.17 12
  51 4.91 49
  52 1.91 19
  53 4.57 46
  54 2.15 22
  55 25.5 255
  56 5.07 51
  57 19.35 194
  58 0.85 9
  59 1.11 11
  60 1.3 13
  63 1.89 19
  64 1.13 11
  65 6.74 67
  66 2.7 27
  67 7.39 74
  68 1.83 18
  69 8.89 89
  70 1.86 19
  71 3.32 33
  73 1.05 11
  76 1.09 11
  77 19.97 200
  78 9.89 99
  79 7.65 77
  80 1.46 15
  81 4.79 48
  82 1.14 11
  83 3.32 33
  85 1.33 13
  89 3.22 32
  90 2.86 29
  91 18.14 181
  92 4.11 41
  93 2.63 26
  94 1.65 17
  95 5.18 52
  97 2.23 22
  102 1.57 16
  103 5.6 56
  104 3.07 31
  105 50.12 501
  106 9.92 99
  107 24.86 249
  108 11.36 114
  109 2.2 22
  115 4.54 45
  116 2.14 21
  117 2.98 30
  118 7.58 76
  119 7.61 76
  120 7.82 78
  121 7.64 76
  122 2.17 22
  123 1.81 18
  127 2.29 23
  128 1.7 17
  129 2.16 22
  130 1.72 17
  131 5.95 60
  132 8.16 82
  133 18.65 187
  134 40.04 400
  135 9.34 93
  136 5.62 56
  143 1.11 11
  144 5.69 57
  145 11.17 112
  146 20.86 209
  147 50.04 500
  148 23.29 233
  149 9 90
  150 1.7 17
  151 20.38 204
  152 22.77 228
  153 2.19 22
  157 4.73 47
  158 5.29 53
  159 7.38 74
  160 10.99 110
  161 33.81 338
  162 14.69 147
  163 3.27 33
  164 1.49 15
  165 2.71 27
  171 4.54 45
  172 4.71 47
  173 5.93 59
  174 5.56 56
  175 12.59 126
  176 6.29 63
  177 1.63 16
  183 1.17 12
  185 8.65 87
  186 4.37 44
  187 3.29 33
  188 3.05 31
  189 7.19 72
  190 1.9 19
  199 7.49 75
  200 4.24 42
  201 1.86 19
  202 1.3 13
  203 3.15 32
  213 4.24 42
  214 1.66 17
  217 2.23 22
  227 4.01 40
  228 2.11 21
  231 3.52 35
  241 3.14 31
  242 1.49 15
  245 5.48 55
  246 1.95 20
  255 2.65 27
  256 1.77 18
  259 9.33 93
  260 2.75 28
  269 1.47 15
  273 11 110
  274 3.04 30
  276 2.43 24
  284 7.87 79
  285 4.33 43
  286 1.15 12
  287 1.59 16
  301 1.99 20
  302 31.61 316
  303 7.24 72
  304 1.87 19
  308 1.52 15
  318 2.9 29
  319 1.48 15
  320 99.99 999
  321 22.05 221
  322 3.3 33
//
