ACCESSION: MSBNK-EPA-ENTACT_AGILENT002355
RECORD_TITLE: 2',4',5'-Trihydroxybutyrophenone; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2',4',5'-Trihydroxybutyrophenone
CH$NAME: DTXSID2026232
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.073558872
CH$SMILES: CCCC(=O)C1=CC(O)=C(O)C=C1O
CH$IUPAC: InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
CH$LINK: CAS 1421-63-2
CH$LINK: INCHIKEY SRUQARLMFOLRDN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15008

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$FOCUSED_ION: PRECURSOR_M/Z 195.0662824203
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-0900000000-c9dca7f604f296e5dc1b
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  95.013853 1.549859 15
  107.013853 1.641784 16
  123.008768 1.455281 14
  124.016593 3.174927 31
  125.024418 10.730839 107
  151.003682 4.737815 47
  152.011507 1.369902 13
  166.027157 2.590294 25
  195.066282 100.000005 999
//