ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004592
RECORD_TITLE: 7-METHOXY-3-TETRADECANYL-2-OXAINDAN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 7-METHOXY-3-TETRADECANYL-2-OXAINDAN-1-ONE
CH$NAME: 7-METHOXY-3-TETRADECANYLPHTHALIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H36O3
CH$EXACT_MASS: 360.26645
CH$SMILES: CCCCCCCCCCCCCCC(O1)c(c2)c(c(OC)cc2)C(=O)1
CH$IUPAC: InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-19-16-15-18-21(25-2)22(19)23(24)26-20/h15-16,18,20H,3-14,17H2,1-2H3
CH$LINK: INCHIKEY PTWYVJKLACDNEO-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-03di-8901000000-e595ba911e2792099a38
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  38 1.5 15
  39 7.9 79
  41 35.9 359
  42 1.55 16
  43 34.1 341
  50 1.2 12
  51 0.9 9
  53 0.21 2
  54 4.5 45
  55 30 300
  56 50.6 506
  57 1.69 17
  58 2.3 23
  59 1.7 17
  60 9.5 95
  61 1.17 12
  63 1.1 11
  64 1 10
  65 2.5 25
  66 0.19 2
  67 8.2 82
  68 8.8 88
  69 21.4 214
  70 5.15 52
  71 9.7 97
  72 3 30
  73 1.8 18
  74 0.09 1
  75 1.6 16
  76 2.9 29
  77 8 80
  78 0.18 2
  79 2.7 27
  81 6.7 67
  82 5.3 53
  83 0.91 9
  84 6.2 62
  85 7.9 79
  86 1.6 16
  87 0.08 1
  91 3.6 36
  92 3.2 32
  93 2.5 25
  94 0.16 2
  95 4.5 45
  96 3.3 33
  97 9.6 96
  98 0.98 10
  99 18.4 184
  100 3.9 39
  101 0.9 9
  103 0.13 1
  104 2 20
  105 4.9 49
  106 1.1 11
  107 0.29 3
  108 1.1 11
  109 3.6 36
  110 8.3 83
  111 0.28 3
  112 1.9 19
  113 12.1 121
  114 3.3 33
  115 0.2 2
  116 0.8 8
  117 1.4 14
  118 1.7 17
  119 0.33 3
  120 3 30
  121 3.7 37
  122 1.7 17
  123 0.21 2
  124 1.1 11
  125 2.6 26
  126 1.1 11
  127 0.14 1
  128 1.1 11
  129 1.7 17
  131 1.8 18
  132 0.32 3
  133 3.7 37
  134 2.9 29
  135 22 220
  136 0.28 3
  137 2.5 25
  138 3.2 32
  139 1.5 15
  140 0.3 3
  141 5.4 54
  142 3 30
  143 10.7 107
  144 0.16 2
  145 3.9 39
  146 5.4 54
  147 5.5 55
  148 0.5 5
  149 14.8 148
  150 2.6 26
  151 1.2 12
  155 0.09 1
  156 1.1 11
  157 0.8 8
  158 0.8 8
  159 0.45 5
  160 6.6 66
  161 6.3 63
  162 2.5 25
  163 99.99 999
  164 23.5 235
  165 4.4 44
  166 11 110
  167 0.25 3
  168 0.9 9
  169 1.9 19
  171 0.8 8
  173 0.37 4
  174 4.6 46
  175 4.7 47
  176 2.9 29
  177 2.22 22
  178 7.7 77
  179 1.8 18
  184 3 30
  185 0.09 1
  186 0.7 7
  187 2.4 24
  188 1.4 14
  189 0.31 3
  190 1.2 12
  191 1.6 16
  192 0.9 9
  201 0.17 2
  202 0.8 8
  203 1.3 13
  205 1 10
  206 0.2 2
  215 1.1 11
  217 0.8 8
  219 0.8 8
  223 0.08 1
  224 10 100
  225 1.7 17
  231 1.6 16
  331 0.18 2
  358 0.9 9
  359 1.9 19
  360 46.6 466
  361 1.1 11
  362 1.6 16
//
