MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007098

METHYL CROTONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007098
RECORD_TITLE: METHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC=CC(=O)OC
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
CH$LINK: CAS 623-43-8
CH$LINK: INCHIKEY MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID10878813

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014r-9000000000-3ce10c58a2f5f2b26b75
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 9.78 98
  26 1.73 17
  27 3.27 33
  29 6.17 62
  37 2.43 24
  38 6.89 69
  39 40.21 402
  40 2.83 28
  41 47.02 470
  42 2.65 27
  53 1.1 11
  59 5.35 54
  68 2.47 25
  69 99.99 999
  70 4.9 49
  85 21.93 219
  100 15.56 156
//