ACCESSION: MSBNK-EPA-ENTACT_AGILENT002429
RECORD_TITLE: 1-Hydroxypyrene; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Hydroxypyrene
CH$NAME: DTXSID1038298
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₀O
CH$EXACT_MASS: 218.0731649413
CH$SMILES: OC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C34
CH$IUPAC: InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
CH$LINK: CAS 5315-79-7
CH$LINK: INCHIKEY BIJNHUAPTJVVNQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21387

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 217.0658884896
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0090000000-f94cc39956242fcf4e69
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
217.065888 100.000003 999
//