ACCESSION: MSBNK-EPA-ENTACT_AGILENT001360
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 279.1139013181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-1980000000-0fc31d15f56710473851
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.003288 3.988898 39
  41.998537 25.407442 253
  58.029837 1.026143 10
  168.081873 4.945836 49
  178.066223 1.222887 12
  193.077122 20.283153 202
  194.084947 100.000001 999
  195.068962 2.909292 29
  195.092772 21.825956 218
  210.092438 4.759153 47
  218.084947 1.100183 10
  220.064211 5.819702 58
  221.072037 72.411437 723
  222.068628 1.013292 10
  236.095512 13.392404 133
  237.103337 33.494417 334
  247.051301 1.420397 14
  261.103337 1.096931 10
  263.082601 5.202025 51
//