ACCESSION: MSBNK-EPA-ENTACT_AGILENT002441
RECORD_TITLE: 1-(Methylamino)-4-(2-hydroxyethylamino)anthraquinone; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-0090000000-c5978513efb7209dd471
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  251.081504 3.115351 31
  252.089329 22.974319 229
  266.104979 1.263297 12
  279.112804 2.654625 26
  282.099894 4.180047 41
  297.123369 99.999998 999
//