MassBank Record: MSBNK-MSSJ-MSJ01073
ACCESSION: MSBNK-MSSJ-MSJ01073
RECORD_TITLE: Anilofos; 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$NAME: Anilofos
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C13H19ClNO3PS2
CH$EXACT_MASS: 367.02325
CH$SMILES: CC(C)N(C(=O)CSP(=S)(OC)OC)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
CH$LINK: INCHIKEY
NXQDBZGWYSEGFL-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:91687
CH$LINK: COMPTOX
DTXSID5058149
AC$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 17.8 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 367.02
PK$SPLASH: splash10-0fbc-4910000000-d54440556fea23ae7573
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
40 8 8
41 231 231
42 84 84
43 780 780
44 296 296
45 27 27
46 28 28
47 156 156
48 16 16
49 17 17
50 35 35
51 27 27
52 20 20
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//