ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009571
RECORD_TITLE: LAURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0706-9100000000-e66a9147257053b93702
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  26 1.19 12
  27 28.23 282
  29 44.27 443
  30 1.52 15
  31 2.67 27
  39 21.62 216
  40 4.09 41
  41 82.37 824
  42 20.44 204
  43 73.05 731
  44 2.96 30
  45 11.48 115
  53 7.69 77
  54 6.66 67
  55 64.2 642
  56 17.95 180
  57 53.85 539
  58 2.89 29
  59 6.31 63
  60 95.08 951
  61 21.37 214
  62 1.03 10
  65 1.31 13
  67 7.84 78
  68 5.93 59
  69 34.87 349
  70 11.26 113
  71 32.89 329
  72 2.1 21
  73 99.99 999
  74 11.69 117
  75 1 10
  79 2.23 22
  81 4.69 47
  82 4.92 49
  83 20.39 204
  84 11.56 116
  85 33.2 332
  86 2.7 27
  87 21.18 212
  88 3.56 36
  93 1.33 13
  95 2.67 27
  96 4.41 44
  97 14.95 150
  98 11.51 115
  99 8.76 88
  101 17.09 171
  102 3.53 35
  109 1.26 13
  110 2.75 28
  111 7.81 78
  112 4.73 47
  115 21.07 211
  116 2.73 27
  121 1.13 11
  125 1.62 16
  129 41.32 413
  130 4.13 41
  138 6.54 65
  139 1.89 19
  140 8.57 86
  141 4.43 44
  143 11.09 111
  144 1.39 14
  157 32.68 327
  158 3.99 40
  164 1.48 15
  171 12.12 121
  172 1.85 19
  183 5.04 50
  200 45.19 452
  201 16.53 165
  202 2.04 20
//