ACCESSION: MSBNK-EPA-ENTACT_AGILENT000592
RECORD_TITLE: 2-Acetylpyrrole; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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 10

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

PK$SPLASH: splash10-0aor-7900000000-5f02009fb1c057ff6f81
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.003288 3.46637 34
  66.034923 78.854972 787
  108.045487 100.000001 999
//