MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008248

METHYL CYANOFORMATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008248
RECORD_TITLE: METHYL CYANOFORMATE; 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

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CH$NAME: METHYL CYANOFORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃NO₂
CH$EXACT_MASS: 85.01638
CH$SMILES: N#CC(=O)OC
CH$IUPAC: InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3
CH$LINK: CAS 17640-15-2
CH$LINK: INCHIKEY OBWFJXLKRAFEDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1066235

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ufr-9000000000-76ad646589847d480771
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  12 1.59 16
  13 1.34 13
  14 6.13 61
  15 36.06 361
  26 10.35 104
  27 7.01 70
  28 12.91 129
  29 30.25 303
  30 5.06 51
  31 47.95 480
  40 1.75 18
  41 38.61 386
  42 2.7 27
  44 5.39 54
  45 28.15 282
  54 99.99 999
  55 11.37 114
  56 1.43 14
  57 0.64 6
  59 20.88 209
  84 9.26 93
  85 0.54 5
//