MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005402

METHYL CROTONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005402
RECORD_TITLE: METHYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL CROTONATE
CH$NAME: 2-BUTENOIC ACID METHYL ESTER
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: INCHIKEY MCVVUJPXSBQTRZ-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID10878813

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-9000000000-051848b3008ab240a288
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 7.64 76
  27 1.48 15
  29 2.17 22
  37 1.03 10
  39 19.51 195
  40 3.42 34
  41 44.1 441
  42 2.68 27
  59 4.68 47
  68 3.31 33
  69 99.99 999
  70 4.51 45
  85 21.11 211
  86 1.03 10
  100 14.6 146
  101 2.57 26
//