MassBank Record: MSBNK-MSSJ-MSJ01085
ACCESSION: MSBNK-MSSJ-MSJ01085
RECORD_TITLE: Isozophos; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2016.12.28)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data
CH$NAME: Isozophos
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C9H17ClN3O3PS
CH$EXACT_MASS: 313.04168
CH$SMILES: CCOP(=S)(OCC)Oc(n1)nn(C(C)C)c(Cl)1
CH$IUPAC: InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
CH$LINK: INCHIKEY
XRHGWAGWAHHFLF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:39223
CH$LINK: COMPTOX
DTXSID7034676
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 8.7 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 313.0
PK$SPLASH: splash10-0296-5920000000-c3b5439183136e1bb464
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
40 8 8
41 411 411
42 172 172
43 675 675
44 91 91
45 75 75
46 14 14
47 50 50
48 13 13
49 7 7
52 5 5
53 13 13
54 20 20
55 15 15
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63 58 58
64 26 26
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315 43 43
//