MassBank Record: MSBNK-AGILENT-AG000024
ACCESSION: MSBNK-AGILENT-AG000024
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Pyraclostrobin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18ClN3O4
CH$EXACT_MASS: 387.09858
CH$SMILES: CON(C(=O)OC)C1=CC=CC=C1COC1C=CN(N=1)C1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
CH$LINK: CAS
175013-18-0
CH$LINK: CHEMSPIDER
4928348
CH$LINK: INCHIKEY
HZRSNVGNWUDEFX-UHFFFAOYSA-N
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 388.1058602473
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03dl-0910000000-19ae9ba43525184ed026
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
45.033491 3.159514 31
105.057301 1.378898 13
118.065126 2.526941 25
128.049476 1.050829 10
129.053278 1.36079 13
132.04439 3.411845 34
133.052215 2.706762 27
134.06004 5.136259 51
149.04713 7.212241 72
156.042197 1.051846 10
162.054955 13.466335 134
163.06278 50.232015 501
164.070605 58.0324 579
165.074407 4.437992 44
166.086255 1.857459 18
194.08117 100 999
195.080929 7.952586 79
216.06552 1.009861 10
261.088813 1.086515 10
296.058029 26.67544 266
297.063661 4.171681 41
298.05891 1.313255 13
324.053431 4.804116 47
356.079645 5.772018 57
357.087471 1.694211 16
388.10586 10.924063 109
//