ACCESSION: MSBNK-EPA-ENTACT_AGILENT000034
RECORD_TITLE: C.I. Disperse Red 60; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: C.I. Disperse Red 60
CH$NAME: DTXSID2025210
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₃NO₄
CH$EXACT_MASS: 331.0844579113
CH$SMILES: NC1=C2C(=C(O)C=C1OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O
CH$IUPAC: InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2
CH$LINK: CAS 17418-58-5
CH$LINK: INCHIKEY MHXFWEJMQVIWDH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:28531

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$FOCUSED_ION: PRECURSOR_M/Z 332.091734363
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0019000000-c958cb71e5a70949d3ce
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  92.049476 1.045106 10
  149.059706 1.137368 11
  226.04987 4.873699 48
  238.04987 2.2135 22
  239.057695 8.867821 88
  254.044784 3.757607 37
  255.052609 1.862812 18
  304.09682 1.461657 14
  314.08117 10.037812 100
  332.091734 99.999997 999
//