ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009817
RECORD_TITLE: 8-METHOXYCARBONYL OCTANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 8-METHOXYCARBONYL OCTANAL
CH$NAME: METHYL 8-FORMYLOCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₃
CH$EXACT_MASS: 186.12559
CH$SMILES: O=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h9H,2-8H2,1H3
CH$LINK: INCHIKEY JMLYDLZRFNYHHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00172913

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-059f-9200000000-2ccb39254b2953efc602
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  27 14.3 143
  28 14.7 147
  29 17.5 175
  31 0.31 3
  32 12.9 129
  39 14.2 142
  41 39.8 398
  42 1.07 11
  43 45.1 451
  44 8.3 83
  45 6.5 65
  51 0.16 2
  53 6.7 67
  54 5.8 58
  55 64.9 649
  56 0.56 6
  57 16.4 164
  58 4 40
  59 30.5 305
  60 0.2 2
  65 1.8 18
  66 2.3 23
  67 20.7 207
  68 1.06 11
  69 29.7 297
  70 6 60
  71 3.7 37
  72 0.1 1
  73 3 30
  74 99.99 999
  75 7.1 71
  76 0.13 1
  77 2.5 25
  78 1.3 13
  79 5.5 55
  80 0.4 4
  81 8.8 88
  82 9.7 97
  83 46 460
  84 1.13 11
  85 3.2 32
  86 2 20
  87 66.4 664
  88 0.55 6
  93 4.4 44
  94 11.4 114
  95 9.1 91
  96 0.13 1
  97 5.9 59
  98 10.4 104
  99 2.1 21
  100 0.13 1
  101 9.7 97
  102 1.3 13
  107 2.7 27
  108 0.45 5
  109 12.5 125
  110 6.2 62
  111 46.9 469
  112 0.61 6
  113 2.3 23
  115 12.1 121
  119 1.3 13
  121 0.12 1
  124 1.3 13
  125 2.9 29
  126 3.8 38
  127 0.25 3
  129 3.9 39
  130 2.1 21
  135 1.9 19
  136 0.76 8
  137 1.7 17
  143 39.6 396
  144 4.4 44
  154 0.39 4
  155 23.9 239
  156 2.3 23
  158 12.5 125
  159 1.3 13
//