MassBank Record: MSBNK-AGILENT-AG000021
ACCESSION: MSBNK-AGILENT-AG000021
RECORD_TITLE: Dinoseb (Subitex); ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Dinoseb (Subitex)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2O5
CH$EXACT_MASS: 240.07462
CH$SMILES: CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
CH$LINK: CAS
88-85-7
CH$LINK: CHEMSPIDER
6684
CH$LINK: INCHIKEY
OWZPCEFYPSAJFR-UHFFFAOYSA-N
AC$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 239.0673450574
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000l-0590000000-123298fbc097a154a2b9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
151.076453 1.407878 14
163.027492 1.340857 13
176.035317 2.171267 21
179.071368 2.205862 22
180.030231 1.356337 13
191.058792 1.343977 13
192.066617 5.532483 55
193.02548 20.824923 208
194.045881 31.858558 318
207.04113 3.156367 31
208.061531 1.184232 11
209.020395 1.533997 15
209.069356 2.758233 27
210.02822 3.383195 33
221.05678 2.373324 23
222.064605 5.832269 58
239.067345 100 999
//
system version 2.2.6-SNAPSHOT