ACCESSION: MSBNK-EPA-ENTACT_AGILENT001356
RECORD_TITLE: 2,7-Acetylaminofluorene; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,7-Acetylaminofluorene
CH$NAME: DTXSID9021479
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆N₂O₂
CH$EXACT_MASS: 280.1211777698
CH$SMILES: CC(=O)NC1C=C2CC3C=C(C=CC=3C2=CC=1)NC(C)=O
CH$IUPAC: InChI=1S/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)
CH$LINK: CAS 304-28-9
CH$LINK: INCHIKEY XBZBRCVCSVLJJZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9352

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

MS$FOCUSED_ION: PRECURSOR_M/Z 281.1284542215
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0019-0290000000-2bf45fe3955d3e06ba9c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43.017841 2.809714 28
  180.080776 9.197174 91
  181.088601 4.473816 44
  196.0995 3.45214 34
  197.107325 37.139169 371
  198.09134 10.085639 100
  221.107325 3.690537 36
  222.09134 6.257141 62
  223.099165 1.061228 10
  238.110065 2.477682 24
  239.11789 100.000003 999
  240.101905 5.705222 56
  263.11789 12.131704 121
  281.128454 83.824106 837
//