MassBank Record: MSJ01057



 beta-Chlorfenvinphos; GC-EI-Q; MS; Positive 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01057
RECORD_TITLE: beta-Chlorfenvinphos; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (2016.12.21)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: beta-Chlorfenvinphos CH$NAME: (Z)- Chlorfenvinphos CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H14Cl3O4P CH$EXACT_MASS: 357.96953 CH$SMILES: CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl CH$IUPAC: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8- CH$LINK: INCHIKEY FSAVDKDHPDSCTO-WQLSENKSSA-N
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$CHROMATOGRAPHY: RETENTION_TIME 11.63 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 357.97
PK$SPLASH: splash10-0ln9-4911000000-5e361fa7ef8bdff27bdc PK$NUM_PEAK: 88 PK$PEAK: m/z int. rel.int. 40 11 16 41 6 9 43 37 55 45 64 95 47 14 21 48 8 12 50 27 40 51 11 16 57 8 12 61 10 15 62 22 33 63 21 31 65 42 63 67 8 12 73 47 70 74 87 130 75 97 145 76 57 85 77 9 13 78 24 36 81 420 626 82 21 31 84 11 16 85 25 37 86 17 25 87 29 43 88 9 13 89 22 33 91 148 221 92 9 13 93 11 16 95 7 10 97 27 40 98 32 48 99 161 240 100 19 28 102 9 13 108 12 18 109 330 492 110 46 69 111 54 81 112 14 21 113 10 15 115 8 12 121 7 10 123 148 221 124 19 28 125 99 148 127 24 36 133 66 98 134 40 60 135 54 81 136 9 13 137 38 57 138 9 13 139 11 16 141 7 10 143 8 12 145 104 155 146 81 121 147 71 106 148 56 83 149 20 30 150 10 15 152 13 19 153 400 596 154 8 12 155 7 10 157 23 34 158 33 49 159 177 264 160 25 37 161 107 160 162 13 19 163 11 16 169 44 66 170 275 410 171 64 95 172 169 252 173 165 246 174 44 66 175 107 160 176 9 13 177 20 30 186 14 21 269 670 999 325 650 969 358 8 12 //