MassBank Record: MSJ01077



 Ametryn; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01077
RECORD_TITLE: Ametryn; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (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
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 57 14 14 58 358 358 59 21 21 61 6 6 67 16 16 68 272 272 69 198 198 70 37 37 71 167 167 72 18 18 73 9 9 74 117 117 75 9 9 76 5 5 78 5 5 80 6 6 81 10 10 82 14 14 83 46 46 84 13 13 85 69 69 86 13 13 89 7 7 90 5 5 91 10 10 93 29 29 94 38 38 95 26 26 96 121 121 97 32 32 99 184 184 100 35 35 101 7 7 102 6 6 103 18 18 106 105 105 107 12 12 108 5 5 109 9 9 110 49 49 111 78 78 112 16 16 113 13 13 114 9 9 115 16 16 116 27 27 117 27 27 121 7 7 122 107 107 123 46 46 124 10 10 125 18 18 127 31 31 128 21 21 130 14 14 135 5 5 136 23 23 137 33 33 138 103 103 139 59 59 140 24 24 141 21 21 142 64 64 143 12 12 144 34 34 151 10 10 152 54 54 153 17 17 154 5 5 155 128 128 156 42 42 157 77 77 158 7 7 164 10 10 166 23 23 167 9 9 168 7 7 169 57 57 170 308 308 171 86 86 172 15 15 180 8 8 181 41 41 182 14 14 184 153 153 185 223 223 186 29 29 195 16 16 200 7 7 204 7 7 212 555 555 213 65 65 214 30 30 224 12 12 225 11 11 226 72 72 227 999 999 228 133 133 229 55 55 230 7 7 //