MassBank Record: MSBNK-AGILENT-AG000062
ACCESSION: MSBNK-AGILENT-AG000062
RECORD_TITLE: Bentazone; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Bentazone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2O3S
CH$EXACT_MASS: 240.05686
CH$SMILES: CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O
CH$IUPAC: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
CH$LINK: CAS
25057-89-0
CH$LINK: CHEMSPIDER
2238
CH$LINK: INCHIKEY
ZOMSMJKLGFBRBS-UHFFFAOYSA-N
AC$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 239.04959
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001a-0940000000-2a0f744095dff7e8aa92
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
41.998537 2.220237 22
105.034588 1.645575 16
117.045822 2.858086 28
132.032911 60.998189 609
133.040736 26.763827 267
147.081539 2.594728 25
175.087687 45.031698 449
195.994811 5.56813 55
197.002636 50.127522 500
239.049587 100.000004 999
//