ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011328
RECORD_TITLE: UNDECYLENIC 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$NAME: UNDECYLENIC ACID
CH$NAME: 10-UNDECENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: C=CCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
CH$LINK: CAS 112-38-9
CH$LINK: INCHIKEY FRPZMMHWLSIFAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8035001

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ls-9600000000-b0c6c3ec0da35153ca5d
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  18 88.79 888
  28 1.11 11
  29 1.16 12
  31 4.34 43
  32 12.81 128
  33 1.19 12
  36 2.99 30
  38 1.29 13
  41 1.63 16
  42 4.13 41
  43 9.58 96
  44 3.36 34
  45 3.31 33
  54 8.53 85
  55 29.73 297
  56 26.3 263
  57 13.13 131
  58 3.43 34
  59 3.03 30
  60 18.55 186
  61 4.63 46
  62 1.31 13
  66 3.34 33
  67 9.54 95
  68 37.83 378
  69 63.21 632
  70 34.6 346
  71 12.67 127
  72 1.81 18
  73 34.06 341
  74 7.45 75
  78 1.76 18
  79 4.64 46
  80 7.7 77
  81 14.82 148
  82 85.65 857
  83 76.14 761
  84 99.99 999
  85 11.66 117
  86 2.59 26
  87 20.15 202
  88 4.74 47
  91 3.05 31
  92 3.64 36
  93 4.97 50
  94 14.28 143
  95 20.11 201
  96 93.37 934
  97 58.07 581
  98 66.23 662
  99 12.68 127
  100 26.78 268
  101 31 310
  102 6.63 66
  103 2.01 20
  105 2.78 28
  106 5.35 54
  107 4.37 44
  108 5.09 51
  109 13.95 140
  110 42.35 424
  111 21.14 211
  112 13.84 138
  113 12.21 122
  114 41.91 419
  115 13.73 137
  116 6.71 67
  117 2.4 24
  118 1.95 20
  119 10.69 107
  120 4.01 40
  121 1.94 19
  122 39.8 398
  123 38.25 383
  124 88.06 881
  125 32.2 322
  126 4.88 49
  127 13.31 133
  128 11.89 119
  129 6.29 63
  131 1.65 17
  132 2.03 20
  133 3.53 35
  134 1.84 18
  135 3.49 35
  136 2.44 24
  137 28.52 285
  138 19.98 200
  139 2.35 24
  141 8.94 89
  142 5.29 53
  143 2.96 30
  147 1.2 12
  148 24.78 248
  149 5.26 53
  150 2.53 25
  151 4 40
  152 2.72 27
  153 1.6 16
  154 1.89 19
  155 5.61 56
  156 1.94 19
  157 1.3 13
  158 1.22 12
  161 1.57 16
  163 1.9 19
  164 2.27 23
  165 1.66 17
  166 49.01 490
  167 8.62 86
  168 2.93 29
  171 1.1 11
  176 1.18 12
  180 1.28 13
  181 1.59 16
  182 2.36 24
  184 7.08 71
  185 1.49 15
  186 2.07 21
//