ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011337
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0706-9100000000-2dd666a9a0355b1ca144
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 31.4 314
  28 7.6 76
  29 48.9 489
  30 1.3 13
  31 2.8 28
  39 16.2 162
  40 3.4 34
  41 75.5 755
  42 15.9 159
  43 80.1 801
  44 2.9 29
  45 8.6 86
  51 1.9 19
  53 5.2 52
  54 4.6 46
  55 49.1 491
  56 12.9 129
  57 47.8 478
  58 2.8 28
  59 4.6 46
  60 99.99 999
  61 20 200
  62 1.4 14
  65 0.7 7
  66 0.6 6
  67 4.2 42
  68 3.2 32
  69 24 240
  70 7.9 79
  71 25 250
  72 1.9 19
  73 92.7 927
  74 9.2 92
  75 0.9 9
  77 2.1 21
  78 0.7 7
  79 2.9 29
  80 0.6 6
  81 2.8 28
  82 3.1 31
  83 11.8 118
  84 7.9 79
  85 22.9 229
  86 2 20
  87 12.5 125
  88 2 20
  89 1 10
  91 0.9 9
  93 1.2 12
  94 0.9 9
  95 2.1 21
  96 2.9 29
  97 8.2 82
  98 7.8 78
  99 5.7 57
  100 0.7 7
  101 8.9 89
  102 2.5 25
  105 1 10
  107 3.4 34
  108 0.6 6
  109 0.9 9
  110 1.5 15
  111 4.4 44
  112 3 30
  113 0.8 8
  115 10.6 106
  116 1.6 16
  129 20.8 208
  130 2.3 23
  138 3.9 39
  139 1.3 13
  140 5.2 52
  141 3.8 38
  142 0.8 8
  143 3.9 39
  144 0.7 7
  157 14.6 146
  158 2.1 21
  164 1.4 14
  171 4.9 49
  172 1.3 13
  181 0.9 9
  183 1 10
  200 23.7 237
  201 4 40
//