ACCESSION: MSBNK-EPA-ENTACT_AGILENT002440
RECORD_TITLE: 1-(Methylamino)-4-(2-hydroxyethylamino)anthraquinone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-(Methylamino)-4-(2-hydroxyethylamino)anthraquinone
CH$NAME: DTXSID9041730
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆N₂O₃
CH$EXACT_MASS: 296.1160923921
CH$SMILES: CNC1=CC=C(NCCO)C2C(=O)C3C=CC=CC=3C(=O)C1=2
CH$IUPAC: InChI=1S/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3
CH$LINK: CAS 2475-46-9
CH$LINK: INCHIKEY NLXFWUZKOOWWFD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17191

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$FOCUSED_ION: PRECURSOR_M/Z 297.1233688438
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0090000000-9dfb896e38eb382527d9
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  71.049141 1.145365 11
  207.067865 1.247589 12
  223.086589 1.767747 17
  224.070605 1.183574 11
  225.07843 2.744453 27
  235.06278 1.628325 16
  235.086589 7.42331 74
  251.081504 30.90109 308
  252.089329 100.000001 999
  253.097154 1.454293 14
  261.102239 1.764597 17
  264.089329 1.24313 12
  266.104979 4.823062 48
  279.112804 1.672843 16
  282.099894 20.150539 201
  297.123369 20.639421 206
//