MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002957

3,3,3-TRIMETHOXY PROPIONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002957
RECORD_TITLE: 3,3,3-TRIMETHOXY PROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 3,3,3-TRIMETHOXY PROPIONITRILE
CH$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

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0900-9400000000-681b3d33d16f38e31266
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 40.63 406
  27 3.97 40
  28 3.92 39
  29 11.14 111
  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
  54 4.61 46
  55 20.38 204
  57 4.23 42
  59 25.8 258
  61 2.98 30
  68 14.12 141
  70 5.26 53
  72 46.89 469
  75 4.38 44
  82 7.9 79
  105 21.28 213
  114 99.99 999
  115 5.62 56
//