MassBank Record: MSBNK-AGILENT-AG000022
ACCESSION: MSBNK-AGILENT-AG000022
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 388.1058602473
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-3e9e3e9bd807af1a557a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
45.033491 6.639738 66
75.044056 1.050749 10
91.054227 1.219908 12
104.049476 2.724865 27
105.057301 4.125146 41
106.065126 1.585539 15
118.065126 3.55619 35
119.036565 3.083503 30
120.04439 1.741191 17
128.049476 3.305142 33
129.054621 1.486718 14
132.04439 9.025796 90
133.052215 13.030095 130
134.06004 11.27906 112
135.065185 1.147747 11
149.04713 25.174513 251
150.050932 1.805589 18
156.042197 1.437841 14
162.054955 17.466799 174
163.06278 100 999
164.070605 51.268782 512
165.074407 3.794185 37
166.086255 2.007597 20
179.057695 1.473126 14
194.08117 17.645825 176
195.080929 1.538917 15
253.050022 1.039195 10
261.088813 2.310123 23
296.058029 13.359876 133
297.063661 2.224126 22
324.053431 2.087492 20
//
system version 2.2.6-SNAPSHOT