MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005393

CINNAMIC ALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005393
RECORD_TITLE: CINNAMIC ALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: CINNAMIC ALDEHYDE
CH$NAME: 3-PHENYL-2-PROPENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈O
CH$EXACT_MASS: 132.05751
CH$SMILES: O=CC=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
CH$LINK: INCHIKEY KJPRLNWUNMBNBZ-QPJJXVBHSA-N
CH$LINK: COMPTOX DTXSID6024834

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AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-001i-0900000000-4f0ad7748ac21b7320c9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  77 2.5 25
  78 13.9 139
  91 1.1 11
  103 2.06 21
  104 21.2 212
  105 2.7 27
  130 14.2 142
  131 99.99 999
  132 69.8 698
  133 6.5 65
//