ACCESSION: MSBNK-MSSJ-MSJ01089
RECORD_TITLE: Isofenphos; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2017.01.05)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isofenphos
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₅H₂₄NO₄PS
CH$EXACT_MASS: 345.11637
CH$SMILES: CC(C)OC(=O)c(c1)c(ccc1)OP(=S)(OCC)NC(C)C
CH$IUPAC: InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
CH$LINK: INCHIKEY HOQADATXFBOEGG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:32872
CH$LINK: COMPTOX DTXSID8032417

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 11.6 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 345.1

PK$SPLASH: splash10-0ab9-9840000000-b95f40096879a4468f84
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  40 8 8
  41 120 120
  42 80 80
  43 181 181
  44 82 82
  45 27 27
  46 14 14
  47 12 12
  50 5 5
  51 9 9
  53 11 11
  56 6 6
  57 17 17
  58 999 999
  59 48 48
  62 5 5
  63 47 47
  64 118 118
  65 97 97
  66 9 9
  75 5 5
  76 7 7
  77 20 20
  80 24 24
  81 12 12
  88 10 10
  90 21 21
  91 5 5
  92 191 191
  93 64 64
  94 16 16
  96 161 161
  97 9 9
  98 8 8
  104 19 19
  105 17 17
  106 77 77
  107 5 5
  108 7 7
  109 14 14
  118 12 12
  119 9 9
  120 619 619
  121 469 469
  122 59 59
  123 17 17
  124 9 9
  132 11 11
  134 29 29
  135 5 5
  136 70 70
  137 22 22
  138 251 251
  139 33 33
  140 9 9
  141 5 5
  149 6 6
  150 13 13
  155 11 11
  157 7 7
  165 13 13
  166 16 16
  167 28 28
  168 5 5
  169 5 5
  171 21 21
  173 12 12
  180 62 62
  181 6 6
  182 19 19
  183 13 13
  184 9 9
  185 159 159
  186 9 9
  197 7 7
  198 14 14
  199 14 14
  200 84 84
  201 66 66
  202 5 5
  213 340 340
  214 41 41
  215 5 5
  216 51 51
  217 75 75
  218 10 10
  224 5 5
  226 19 19
  228 37 37
  229 90 90
  230 10 10
  232 15 15
  242 7 7
  244 46 46
  245 57 57
  246 9 9
  254 7 7
  255 155 155
  256 26 26
  257 7 7
  270 15 15
  271 8 8
  272 6 6
  286 22 22
  287 7 7
  314 7 7
  345 7 7
//