ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011924
RECORD_TITLE: 12-HYDROXYDODECANOIC 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$NAME: 12-HYDROXYDODECANOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₃
CH$EXACT_MASS: 216.17254
CH$SMILES: OCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)
CH$LINK: CAS 505-95-3
CH$LINK: INCHIKEY ZDHCZVWCTKTBRY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90198521

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$SPLASH: splash10-000t-9600000000-80739833ebc1d91a8f41
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  42 1.43 14
  43 2.77 28
  54 1.69 17
  56 8.6 86
  57 7.25 73
  60 12.5 125
  61 2.68 27
  67 3.73 37
  68 13.83 138
  69 22.18 222
  70 10.2 102
  71 7.15 72
  73 20.69 207
  74 2.07 21
  80 2.85 29
  81 6.13 61
  82 17.2 172
  83 33.69 337
  84 64.34 643
  85 7.97 80
  86 1.07 11
  87 9.74 97
  88 1.27 13
  94 5.74 57
  95 6.89 69
  96 20.57 206
  97 25.3 253
  98 99.99 999
  99 8.96 90
  100 5.03 50
  101 7.9 79
  102 1.78 18
  108 3.87 39
  109 6.11 61
  110 15.24 152
  111 12.66 127
  112 34.38 344
  113 4.9 49
  114 7.45 75
  115 5.34 53
  116 2.43 24
  119 1.37 14
  120 1.02 10
  121 2.06 21
  123 6.91 69
  124 6.75 68
  125 5.06 51
  126 11.07 111
  127 3.42 34
  128 1.13 11
  129 18.75 188
  130 3.52 35
  131 1.08 11
  133 2.06 21
  134 2.06 21
  136 6.05 61
  137 7.2 72
  138 9.8 98
  139 3.93 39
  140 2.01 20
  141 1.31 13
  143 7.39 74
  149 1.08 11
  150 1.16 12
  151 5.27 53
  152 9.99 100
  153 1.61 16
  154 1.26 13
  155 3.26 33
  156 1.24 12
  157 1.8 18
  162 6.59 66
  169 1.59 16
  170 1.54 15
  180 6.49 65
  181 1.06 11
  186 31.38 314
  187 3.95 40
  198 4.19 42
  199 1.63 16
  217 0.54 5
//