MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002929

METHYL CYANOFORMATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002929
RECORD_TITLE: METHYL CYANOFORMATE; 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$NAME: METHYL CYANOFORMATE
CH$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$LINK: INCHIKEY OBWFJXLKRAFEDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1066235

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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$SPLASH: splash10-0ufr-9000000000-2788de417fa3b894c0bb
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  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
  41 38.61 386
  42 2.7 27
  44 5.39 54
  45 28.15 282
  54 99.99 999
  55 11.37 114
  59 20.88 209
  84 9.26 93
//