ACCESSION: MSBNK-EPA-ENTACT_AGILENT001355
RECORD_TITLE: 2,7-Acetylaminofluorene; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-001j-0900000000-d30c434a9f39a2c27f06
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43.017841 8.851589 88
  127.054227 1.022859 10
  130.065126 2.369323 23
  144.080776 1.5412 15
  152.062052 2.776483 27
  153.069877 7.7101 77
  156.080776 1.291818 12
  163.054227 1.192869 11
  168.080776 4.925671 49
  170.096426 1.704661 17
  180.080776 100.000004 999
  180.125715 2.155261 21
  181.064791 4.493881 44
  181.088601 50.421098 503
  182.08385 7.711944 77
  194.096426 1.091518 10
  195.091675 10.312636 103
  196.07569 1.066332 10
  196.0995 28.475687 284
  197.083515 1.913102 19
  197.107325 48.727813 486
  198.09134 4.474523 44
  221.107325 1.42457 14
  239.11789 2.847636 28
//