ACCESSION: MSBNK-EPA-ENTACT_AGILENT000380
RECORD_TITLE: 2-Aminoanthraquinone; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Aminoanthraquinone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₉NO₂
CH$EXACT_MASS: 223.0633285391
CH$SMILES: NC1C=C2C(=CC=1)C(=O)C1C=CC=CC=1C2=O
CH$IUPAC: InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
CH$LINK: CAS 117-79-3
CH$LINK: INCHIKEY XOGPDSATLSAZEK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8341

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$FOCUSED_ION: PRECURSOR_M/Z 224.0706049908
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014l-3900000000-1c86da1c877c4cc55c4a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  44.01309 2.885434 28
  50.015101 1.194149 11
  51.022927 1.696456 16
  58.065126 1.392975 13
  65.038577 8.00921 80
  77.038577 53.370197 533
  79.054227 3.08629 30
  89.038577 1.345129 13
  90.033826 2.824434 28
  91.054227 19.372363 193
  92.049476 29.008816 289
  92.070605 1.090088 10
  93.069877 5.390163 53
  102.033826 1.124389 11
  103.041651 1.055998 10
  103.054227 3.959408 39
  105.033491 13.79026 137
  115.054227 12.372905 123
  116.049476 1.547876 15
  120.04439 24.555044 245
  125.038577 1.403559 14
  127.054227 3.622183 36
  128.062052 2.713462 27
  130.02874 3.548052 35
  131.036565 1.125359 11
  139.054227 2.670531 26
  140.049476 1.933206 19
  140.062052 4.958389 49
  141.069877 21.65542 216
  146.023655 1.227685 12
  150.046402 4.035987 40
  151.054227 37.151726 371
  152.049476 1.993164 19
  152.062052 8.770254 87
  153.057301 5.916161 59
  166.065126 12.596252 125
  167.072951 99.999995 999
  168.080776 6.957258 69
  177.057301 5.081773 50
  178.065126 7.476982 74
  184.051881 1.034843 10
  195.067865 2.428996 24
  206.06004 2.261051 22
  224.070605 2.180666 21
//