MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002572

ISOBUTYRONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002572
RECORD_TITLE: ISOBUTYRONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇N
CH$EXACT_MASS: 69.05785
CH$SMILES: N#CC(C)C
CH$IUPAC: InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
CH$LINK: INCHIKEY LRDFRRGEGBBSRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026461

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-6be686822068ec03a28b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.28 13
  15 5.5 55
  26 10.2 102
  27 18.22 182
  28 22.34 223
  29 1.4 14
  37 4.19 42
  38 4.64 46
  39 13.85 139
  40 5.32 53
  41 24.97 250
  42 99.99 999
  43 3.73 37
  51 5.41 54
  52 11 110
  53 10.36 104
  54 28.06 281
  64 1.65 17
  66 1.31 13
  67 1.19 12
  68 61.12 611
  69 2.99 30
//