ACCESSION: MSBNK-EPA-ENTACT_AGILENT002349
RECORD_TITLE: Arotinoid acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Arotinoid acid
CH$NAME: DTXSID6040743
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₈O₂
CH$EXACT_MASS: 348.2089301378
CH$SMILES: C/C(=C/C1C=CC(=CC=1)C(O)=O)/C1=CC2=C(C=C1)C(C)(C)CCC2(C)C
CH$IUPAC: InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
CH$LINK: CAS 71441-28-6
CH$LINK: INCHIKEY FOIVPCKZDPCJJY-PEZBUJJGSA-N
CH$LINK: PUBCHEM CID:5289501

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 347.2016536861
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0f6t-0009000000-dfa7451693fb41d615c3
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
303.211824 87.104351 870
347.201654 100 999
//