MassBank Record: MSBNK-EPA-ENTACT_AGILENT002348
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002348
RECORD_TITLE: Arotinoid acid; ESI-QTOF; MS2; CE: 10; [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 10
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: splash10-0002-0009000000-bf458a68a1214d2ac3c1
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
303.211824 5.488939 54
347.201654 99.999998 999
//