ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011379
RECORD_TITLE: STEARIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: STEARIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
CH$LINK: INCHIKEY QIQXTHQIDYTFRH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021642

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-075c-9220000000-207b53a511763954eb66
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  39 4.6 46
  41 39.8 398
  42 9.1 91
  43 57.9 579
  45 3.9 39
  54 3.8 38
  55 41.7 417
  56 12.3 123
  57 54.4 544
  59 4 40
  60 52.5 525
  61 18.9 189
  67 5.9 59
  68 5.1 51
  69 28.4 284
  70 9.3 93
  71 34.9 349
  73 65.9 659
  74 7.2 72
  81 5.2 52
  82 5.5 55
  83 22.8 228
  84 10.5 105
  85 25.2 252
  87 16.7 167
  95 3.8 38
  96 5.2 52
  97 20 200
  98 12.7 127
  99 9.2 92
  101 7.4 74
  111 10.7 107
  112 4.7 47
  113 6 60
  115 12.3 123
  116 7.9 79
  125 5.9 59
  127 4.3 43
  129 41.2 412
  130 5.6 56
  139 3.2 32
  141 3.5 35
  143 8.3 83
  157 4.2 42
  171 9.5 95
  185 23.4 234
  186 3.7 37
  199 8.1 81
  213 3.6 36
  224 3 30
  227 6.2 62
  241 22.7 227
  242 4 40
  255 3.8 38
  256 3.3 33
  284 99.99 999
  285 24.9 249
  286 3.2 32
//