ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008279
RECORD_TITLE: 3,3,3-TRIMETHOXYPROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 3,3,3-TRIMETHOXYPROPIONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO3
CH$EXACT_MASS: 145.07389
CH$SMILES: N#CCC(OC)(OC)OC
CH$IUPAC: InChI=1S/C6H11NO3/c1-8-6(9-2,10-3)4-5-7/h4H2,1-3H3
CH$LINK: INCHIKEY IPJDXQYLAATRJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70220415
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0900-9400000000-2f18ae517f4db92c2ea0
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  14 1.85 19
  15 40.63 406
  17 1.47 15
  18 1.77 18
  26 1 10
  27 3.97 40
  28 3.92 39
  29 11.14 111
  30 1.6 16
  31 4.24 42
  39 2.62 26
  40 11.53 115
  41 2.15 22
  42 13.22 132
  43 5.5 55
  45 8.43 84
  47 9.23 92
  53 1.05 11
  54 4.61 46
  55 20.38 204
  56 1.33 13
  57 4.23 42
  58 1.68 17
  59 25.8 258
  61 2.98 30
  67 1.68 17
  68 14.12 141
  69 1.39 14
  70 5.26 53
  72 46.89 469
  73 1.84 18
  75 4.38 44
  82 7.9 79
  105 21.28 213
  106 0.98 10
  114 99.99 999
  115 5.62 56
  116 0.7 7
//
