MassBank Record: MSBNK-MSSJ-MSJ01077
ACCESSION: MSBNK-MSSJ-MSJ01077
RECORD_TITLE: Ametryn; 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$NAME: Ametryn
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C9H17N5S
CH$EXACT_MASS: 227.12047
CH$SMILES: CCNc(n1)nc(SC)nc(NC(C)C)1
CH$IUPAC: InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
CH$LINK: INCHIKEY
RQVYBGPQFYCBGX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:13263
CH$LINK: COMPTOX
DTXSID1023869
AC$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 9.6 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 227.12
PK$SPLASH: splash10-01tc-9750000000-30b6acedf53c24dd29aa
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
41 134 134
42 139 139
43 421 421
44 173 173
45 34 34
46 13 13
47 56 56
48 24 24
53 7 7
54 8 8
55 43 43
56 23 23
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230 7 7
//
system version 2.2.8-SNAPSHOT