MassBank Record: MSBNK-AGILENT-AG000037
ACCESSION: MSBNK-AGILENT-AG000037
RECORD_TITLE: Acifluorfen; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Acifluorfen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H7ClF3NO5
CH$EXACT_MASS: 360.99648
CH$SMILES: [O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F
CH$IUPAC: InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
CH$LINK: CAS
50594-66-6
CH$LINK: CHEMSPIDER
40113
CH$LINK: INCHIKEY
NUFNQYOELLVIPL-UHFFFAOYSA-N
AC$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 359.9892082005
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00ko-0893000000-a59c59a78a3962a9ebdf
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
79.018938 1.134337 11
107.013853 1.272225 12
123.008768 1.147974 11
137.011842 15.209872 151
174.976772 1.112151 11
194.983001 100 999
222.029798 48.815876 487
235.022367 1.063381 10
250.024713 2.792224 27
258.006476 1.552337 15
284.993565 2.364846 23
286.00139 74.027113 739
315.999379 52.562034 525
//