ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011327
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-056u-9200000000-5b8c18292287532e1deb
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  26 5.04 50
  27 31.67 317
  28 74.1 741
  29 31.24 312
  30 2.48 25
  31 5.4 54
  32 18.07 181
  34 1.13 11
  36 1.39 14
  38 2.13 21
  39 38.02 380
  40 8.26 83
  41 84.75 848
  42 20.4 204
  43 22.68 227
  44 8.05 81
  45 19.27 193
  47 1.3 13
  50 1.41 14
  51 2.26 23
  52 1.57 16
  53 11.61 116
  54 14.72 147
  55 99.99 999
  56 26.23 262
  57 9.84 98
  58 2.11 21
  59 6.79 68
  60 32.67 327
  61 4.12 41
  63 1.1 11
  65 2.69 27
  66 2.52 25
  67 13.71 137
  68 21.01 210
  69 43.4 434
  70 13.22 132
  71 6.34 63
  72 1.23 12
  73 24.15 242
  74 2.05 21
  75 1.22 12
  77 3.18 32
  78 1.91 19
  79 6.88 69
  80 16.13 161
  82 27.84 278
  83 37.17 372
  84 22.86 229
  85 5.45 55
  86 2.42 24
  87 8.62 86
  88 1.38 14
  90 1.07 11
  91 3.27 33
  92 1.3 13
  93 4.12 41
  94 6.02 60
  95 13.68 137
  96 32.71 327
  97 14.22 142
  98 16.82 168
  99 5.09 51
  100 9.74 97
  101 11.11 111
  102 2.33 23
  103 1.48 15
  105 3.59 36
  106 2.4 24
  107 2.68 27
  108 2.98 30
  109 6.38 64
  110 10.46 105
  111 5.31 53
  112 2.1 21
  113 6.01 60
  114 9.74 97
  115 3.86 39
  116 2.51 25
  117 1.61 16
  118 1.39 14
  119 4.66 47
  120 1.86 19
  121 1.59 16
  122 10.83 108
  123 12.08 121
  124 21.65 217
  125 7.87 79
  126 2.05 21
  127 2.78 28
  128 5.21 52
  129 2.37 24
  133 2.03 20
  137 8.97 90
  138 4.85 49
  139 1.5 15
  141 4.32 43
  142 1.94 19
  143 1.11 11
  145 1.84 18
  148 6.04 60
  149 2.6 26
  151 1.97 20
  152 1.56 16
  153 1.61 16
  155 1.63 16
  166 8.98 90
  167 2.22 22
  168 1.01 10
  184 2 20
  185 1.78 18
//