ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003300
RECORD_TITLE: 9-OCTADECENAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 9-OCTADECENAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₅NO
CH$EXACT_MASS: 281.27186
CH$SMILES: CCCCCCCCC=CCCCCCCCC(N)=O
CH$IUPAC: InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9+
CH$LINK: INCHIKEY FATBGEAMYMYZAF-MDZDMXLPSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ab9-9100000000-b569e50a84dfd9fefa0f
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  43 31.5 315
  44 15.3 153
  53 3.3 33
  54 31.1 311
  55 6.4 64
  56 12.9 129
  58 99.99 999
  59 12.3 123
  65 1.3 13
  67 9.4 94
  68 3.5 35
  69 15.3 153
  70 3.8 38
  71 3.9 39
  72 76.8 768
  73 8.2 82
  77 1.5 15
  79 2.5 25
  80 1.5 15
  81 6.9 69
  82 3.3 33
  83 8.9 89
  84 3.5 35
  85 1.5 15
  86 8.1 81
  87 1.3 13
  93 1.5 15
  95 5 50
  96 3.1 31
  97 5.7 57
  98 6.6 66
  99 1.5 15
  100 4.5 45
  101 1.9 19
  109 2 20
  110 2.5 25
  111 2.5 25
  112 5.2 52
  113 1.5 15
  114 6.4 64
  115 2.1 21
  121 1.3 13
  122 1.9 19
  123 2 20
  124 1.5 15
  125 1.5 15
  126 5.5 55
  127 1.5 15
  128 5.3 53
  136 1.3 13
  137 1.6 16
  138 1.3 13
  140 2.2 22
  142 1.5 15
  154 2.1 21
  156 1.6 16
  170 1.7 17
  184 1.7 17
  198 1.5 15
  226 1.3 13
  228 1.5 15
  253 1.6 16
  254 1.6 16
  256 1.6 16
  264 3 30
  281 9.9 99
  282 6.8 68
  283 1.5 15
//