ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011566
RECORD_TITLE: LAURIC 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$NAME: LAURIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021590

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-074i-9300000000-405ec308fe8c935c62a2
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  26 0.9 9
  27 0.9 9
  28 4.3 43
  29 1.8 18
  32 1.1 11
  41 4.2 42
  42 2.6 26
  43 27.8 278
  44 1.4 14
  45 2.2 22
  51 0.6 6
  54 2.2 22
  55 14.5 145
  56 7.6 76
  57 44.3 443
  58 2.2 22
  59 2 20
  60 99.99 999
  61 26.9 269
  62 1.4 14
  66 0.6 6
  67 1.7 17
  68 3.1 31
  69 13.7 137
  70 8.1 81
  71 35.6 356
  72 2.7 27
  73 98.4 984
  74 10 100
  75 1.1 11
  77 2.5 25
  78 0.7 7
  79 4.2 42
  80 1.1 11
  81 2.3 23
  82 3.4 34
  83 9.2 92
  84 10.2 102
  85 32.8 328
  86 3.3 33
  87 15.7 157
  88 3.2 32
  89 1.1 11
  90 0.7 7
  91 1.1 11
  92 0.6 6
  93 0.6 6
  94 0.6 6
  95 1.9 19
  96 3.8 38
  97 10 100
  98 10.8 108
  99 9.6 96
  100 1.5 15
  101 13.2 132
  102 3.6 36
  105 2.1 21
  106 1.7 17
  107 10.6 106
  108 1.9 19
  109 1.2 12
  110 2.2 22
  111 6.2 62
  112 4.4 44
  113 0.7 7
  115 17.6 176
  116 3.2 32
  117 0.6 6
  121 1.1 11
  123 0.9 9
  124 0.6 6
  125 1.7 17
  126 0.7 7
  127 0.6 6
  129 34.4 344
  130 3.9 39
  131 0.6 6
  134 0.6 6
  135 1 10
  136 0.7 7
  138 6.4 64
  139 1.4 14
  140 8.7 87
  141 6.2 62
  142 1.1 11
  143 6.2 62
  144 1.6 16
  145 0.7 7
  148 1.7 17
  152 1.4 14
  153 0.7 7
  155 0.6 6
  157 25.1 251
  158 0.7 7
  163 0.7 7
  164 1.9 19
  171 8.5 85
  172 1.6 16
  182 0.8 8
  183 1.1 11
  185 0.9 9
  186 0.6 6
  187 0.6 6
  200 41.3 413
  201 7 70
  202 1.2 12
//