MassBank Record: MSBNK-AGILENT-AG000023
ACCESSION: MSBNK-AGILENT-AG000023
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 40; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 388.1058602473
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-06si-0900000000-e4644ca4de472a3ba1e6
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
45.033491 13.172775 131
47.049141 1.2896 12
55.054227 1.403621 14
59.012756 2.214436 22
65.038577 1.698781 16
75.044056 1.467973 14
77.038577 10.470272 104
78.044209 3.65827 36
79.054227 2.626612 26
91.041651 1.232967 12
91.054227 13.241102 132
92.049476 2.149076 21
93.057301 1.010548 10
101.059706 1.594685 15
102.033826 1.505774 15
104.049476 36.665065 366
105.033491 1.404571 14
105.057301 89.501081 894
106.029227 1.598496 15
106.065126 13.301285 132
107.047799 1.258861 12
107.072951 4.294676 42
108.04439 1.577593 15
109.064791 1.132458 11
110.999604 3.29894 32
116.049476 4.526053 45
117.057301 5.113266 51
118.065126 7.839605 78
119.036565 28.727918 286
119.070271 2.18966 21
120.04439 38.27714 382
121.049535 2.686761 26
121.063449 12.717756 127
122.068594 1.221376 12
128.049476 6.673958 66
129.057301 2.632033 26
130.02874 5.06752 50
132.04439 45.799706 457
133.052215 100 999
134.023655 5.007671 50
134.05736 17.76618 177
135.065185 1.898819 18
148.039305 6.751158 67
149.04713 70.905553 708
150.050932 4.890244 48
151.06278 1.194838 11
162.054955 25.74315 257
163.06278 87.692737 876
164.066582 8.783867 87
204.078583 1.736775 17
218.08385 3.489243 34
219.089482 1.524269 15
232.084244 1.24049 12
233.092556 1.332934 13
243.078249 3.010418 30
253.050022 3.613897 36
261.088813 1.514015 15
296.055836 1.728976 17
//