MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000176

PARA TOLUALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000176
RECORD_TITLE: PARA TOLUALDEHYDE; 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$NAME: PARA TOLUALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
CH$LINK: INCHIKEY FXLOVSHXALFLKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041520

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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$SPLASH: splash10-01bc-9600000000-ce2e5bcb9aa7941f7f8b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 2.12 21
  29 1.06 11
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  39 16.57 166
  40 1.41 14
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//