MassBank Record: MSJ01092



 Isoprothiolane; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01092
RECORD_TITLE: Isoprothiolane; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2017.01.05)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isoprothiolane CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H18O4S2 CH$EXACT_MASS: 290.06465 CH$SMILES: CC(C)OC(=O)C(C(=O)OC(C)C)=C(S1)SCC1 CH$IUPAC: InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3 CH$LINK: INCHIKEY UFHLMYOGRXOCSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:39681
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$CHROMATOGRAPHY: RETENTION_TIME 12.9 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 290.1
PK$SPLASH: splash10-0296-4920000000-ec852d179ec53ec1212d PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 40 8 8 41 342 342 42 60 60 43 606 606 44 38 38 45 136 136 46 5 5 47 7 7 55 7 7 57 13 13 58 40 40 59 79 79 60 103 103 61 126 126 62 9 9 63 5 5 69 11 11 71 17 17 73 7 7 74 16 16 76 18 18 77 15 15 84 26 26 85 99 99 86 26 26 87 9 9 88 45 45 89 96 96 90 9 9 91 6 6 92 5 5 93 16 16 99 5 5 102 26 26 103 15 15 104 5 5 105 44 44 106 5 5 113 5 5 115 7 7 116 158 158 117 26 26 118 999 999 119 60 60 120 94 94 121 11 11 122 5 5 129 44 44 130 5 5 131 9 9 133 29 29 134 132 132 135 7 7 136 15 15 143 13 13 144 70 70 145 210 210 146 43 43 147 40 40 159 16 16 160 136 136 161 32 32 162 678 678 163 50 50 164 60 60 172 6 6 173 36 36 176 34 34 177 5 5 178 148 148 179 9 9 180 13 13 187 10 10 189 478 478 190 45 45 191 47 47 204 377 377 205 41 41 206 62 62 208 5 5 220 5 5 231 228 228 232 30 30 233 24 24 248 6 6 290 322 322 291 42 42 292 32 32 293 5 5 //