MassBank Record: MSBNK-EPA-ENTACT_AGILENT000594

2-Acetylpyrrole; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000594
RECORD_TITLE: 2-Acetylpyrrole; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 2-Acetylpyrrole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇NO
CH$EXACT_MASS: 109.052763853
CH$SMILES: CC(=O)C1=CC=CN1
CH$IUPAC: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
CH$LINK: CAS 1072-83-9
CH$LINK: INCHIKEY IGJQUJNPMOYEJY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14079

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 108.0454874013
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-014i-9000000000-766d3c9106ebcb942df0
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  39.024024 2.642945 26
  40.019273 6.025092 60
  41.003288 5.281634 52
  65.027098 1.426602 14
  66.034923 100.000002 999
  93.022012 1.747891 17
  108.045487 9.801752 97
//