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
  56 30 30
  58 44 44
  59 16 16
  60 30 30
  61 24 24
  62 58 58
  63 58 58
  64 26 26
  65 460 460
  67 7 7
  68 48 48
  69 60 60
  70 58 58
  71 7 7
  73 17 17
  74 9 9
  76 24 24
  77 35 35
  78 7 7
  79 26 26
  80 28 28
  81 83 83
  82 11 11
  83 46 46
  84 70 70
  85 26 26
  86 9 9
  87 13 13
  88 10 10
  89 14 14
  90 25 25
  91 46 46
  92 14 14
  93 407 407
  94 23 23
  96 34 34
  97 722 722
  98 17 17
  99 47 47
  100 9 9
  101 5 5
  102 5 5
  103 19 19
  104 14 14
  105 17 17
  106 10 10
  107 10 10
  108 26 26
  109 109 109
  110 16 16
  111 18 18
  112 7 7
  113 21 21
  114 25 25
  115 12 12
  117 7 7
  118 8 8
  119 999 999
  120 297 297
  121 704 704
  122 120 120
  123 30 30
  124 14 14
  125 177 177
  126 7 7
  127 20 20
  128 13 13
  129 12 12
  130 203 203
  131 37 37
  132 82 82
  133 15 15
  134 11 11
  135 125 125
  136 15 15
  137 67 67
  138 62 62
  139 7 7
  140 20 20
  141 7 7
  142 10 10
  145 5 5
  146 271 271
  147 52 52
  148 103 103
  149 32 32
  150 23 23
  151 13 13
  152 5 5
  153 40 40
  154 12 12
  155 5 5
  158 5 5
  160 8 8
  161 791 791
  162 549 549
  163 301 301
  164 181 181
  165 30 30
  166 129 129
  167 8 8
  168 48 48
  171 44 44
  172 305 305
  173 48 48
  174 122 122
  175 17 17
  176 11 11
  177 202 202
  178 14 14
  179 99 99
  180 11 11
  182 22 22
  184 6 6
  188 23 23
  189 34 34
  190 29 29
  191 5 5
  192 19 19
  194 12 12
  195 8 8
  197 5 5
  198 78 78
  199 15 15
  200 46 46
  205 26 26
  207 21 21
  208 167 167
  209 21 21
  210 81 81
  211 5 5
  212 9 9
  214 46 46
  215 26 26
  216 27 27
  217 13 13
  224 8 8
  225 7 7
  226 11 11
  227 6 6
  228 13 13
  236 36 36
  238 20 20
  240 16 16
  241 5 5
  242 15 15
  243 12 12
  244 11 11
  250 35 35
  252 22 22
  255 8 8
  256 5 5
  257 306 306
  258 23 23
  259 125 125
  261 6 6
  268 8 8
  269 7 7
  270 12 12
  271 7 7
  272 8 8
  278 78 78
  279 6 6
  280 32 32
  281 15 15
  282 17 17
  285 214 214
  286 27 27
  287 84 84
  288 11 11
  297 8 8
  313 75 75
  314 11 11
  315 43 43
//