ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011923
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-053v-9100000000-a92cb682b3bdad87a6b8
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  15 2.25 23
  17 2.56 26
  18 10.78 108
  19 1.52 15
  26 2.54 25
  27 29.2 292
  28 11.05 111
  29 38.4 384
  30 1.42 14
  31 51.65 517
  39 19.1 191
  40 4.23 42
  41 83.39 834
  42 22.59 226
  43 38.72 387
  44 3.58 36
  45 13.46 135
  53 6.6 66
  54 12.01 120
  55 99.99 999
  56 24.33 243
  57 16.96 170
  58 1.93 19
  59 4.59 46
  60 37.91 379
  61 4.62 46
  66 1.44 14
  67 16.02 160
  68 25.39 254
  69 57.25 573
  70 14.54 145
  71 9.67 97
  72 1.07 11
  73 40.35 404
  74 3.86 39
  79 2.8 28
  80 3.39 34
  81 13.78 138
  82 19.57 196
  83 39.85 399
  84 52.98 530
  85 7.94 79
  86 1.44 14
  87 10.21 102
  88 1.42 14
  93 1.82 18
  94 4.76 48
  95 10.73 107
  96 17.96 180
  97 24.19 242
  98 73.37 734
  99 7.38 74
  100 4.75 48
  101 7.15 72
  102 1.4 14
  107 1.28 13
  108 3.16 32
  109 6.21 62
  110 12.35 124
  111 9.88 99
  112 23.49 235
  113 3.94 39
  114 5.74 57
  115 4.27 43
  116 1.76 18
  119 1.15 12
  121 1.67 17
  123 5.48 55
  124 5.04 50
  125 3.66 37
  126 7.44 74
  127 2.49 25
  129 12.27 123
  130 2.17 22
  133 1.54 15
  134 1.42 14
  136 3.97 40
  137 4.91 49
  138 6.66 67
  139 2.64 26
  140 1.31 13
  143 5.07 51
  151 3.38 34
  152 6.31 63
  153 1.14 11
  155 1.91 19
  157 1.27 13
  162 4.22 42
  170 1.04 10
  180 4.22 42
  187 2.31 23
  198 2.79 28
//