MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002571

N-BUTYRONITRILE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002571
RECORD_TITLE: N-BUTYRONITRILE; 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$NAME: N-BUTYRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇N
CH$EXACT_MASS: 69.05785
CH$SMILES: CCCC#N
CH$IUPAC: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
CH$LINK: INCHIKEY KVNRLNFWIYMESJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026823

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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$SPLASH: splash10-002f-9000000000-56013d5c787b2c9f4521
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.93 19
  26 5.59 56
  27 26.07 261
  28 3.8 38
  29 52.84 528
  30 1.41 14
  37 2.82 28
  38 3.24 32
  39 8.6 86
  40 3.43 34
  41 99.99 999
  42 3.66 37
  51 1.64 16
  52 2.91 29
  54 1.08 11
  64 1.41 14
  66 0.94 9
  68 1.13 11
  69 0.33 3
//