ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009943
RECORD_TITLE: 2,2,4-TRIETHOXYCARBONYLPENTANE; 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$NAME: 2,2,4-TRIETHOXYCARBONYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O6
CH$EXACT_MASS: 288.15729
CH$SMILES: CCOC(=O)C(C)CC(C)(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C14H24O6/c1-6-18-11(15)10(4)9-14(5,12(16)19-7-2)13(17)20-8-3/h10H,6-9H2,1-5H3
CH$LINK: INCHIKEY QCTIOLMTJPOZIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50304242
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$SPLASH: splash10-006x-3920000000-34cf37cea8062efb0ef2
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  27 5.8 58
  29 20.6 206
  31 1.3 13
  39 0.2 2
  40 0.8 8
  41 18.3 183
  42 1.6 16
  43 1.53 15
  44 1.6 16
  45 7 70
  53 1.6 16
  54 0.11 1
  55 5.9 59
  56 14.1 141
  57 6.3 63
  58 0.05 1
  59 3 30
  65 0.5 5
  67 7.8 78
  68 0.17 2
  69 27.7 277
  70 2.7 27
  71 1.6 16
  72 0.31 3
  73 4.4 44
  74 10.9 109
  75 1.6 16
  82 0.16 2
  83 3.3 33
  84 1.6 16
  85 4.7 47
  86 0.16 2
  87 18.8 188
  88 1.6 16
  95 10.9 109
  96 0.3 3
  97 4 40
  99 2 20
  100 17.2 172
  101 0.34 3
  102 18.3 183
  103 3.1 31
  110 1.7 17
  111 0.31 3
  112 2.5 25
  113 73.8 738
  114 10.9 109
  115 2.11 21
  116 2.7 27
  123 6.6 66
  127 2.5 25
  128 5 50
  129 6.9 69
  130 7.9 79
  139 1.3 13
  140 0.39 4
  141 53.1 531
  142 35.9 359
  143 16.4 164
  146 0.16 2
  154 1.6 16
  157 1.6 16
  159 3.3 33
  160 0.22 2
  167 1.6 16
  168 3.6 36
  169 30 300
  170 1.36 14
  171 3.9 39
  173 2.2 22
  174 99.99 999
  181 0.05 1
  185 7.8 78
  187 13.6 136
  196 0.9 9
  200 0.16 2
  201 0.9 9
  213 1.9 19
  214 10.8 108
  215 3.42 34
  229 1.6 16
  243 80.5 805
//
