ACCESSION: MSBNK-MSSJ-MSJ01095
RECORD_TITLE: Inabenfide; 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$NAME: Inabenfide
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₉H₁₅ClN₂O₂
CH$EXACT_MASS: 338.08221
CH$SMILES: Clc(c2)cc(C(O)c(c3)cccc3)c(c2)NC(=O)c(c1)ccnc1
CH$IUPAC: InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)
CH$LINK: INCHIKEY PFDCOZXELJAUTR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:92401
CH$LINK: COMPTOX DTXSID0058192

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 10.5 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 338.1

PK$SPLASH: splash10-03di-4790000000-fa41dbcc66f6bcce876f
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  40 8 8
  44 34 34
  49 10 10
  50 33 33
  51 28 28
  55 15 15
  61 15 15
  62 37 37
  63 26 26
  68 9 9
  73 8 8
  74 47 47
  75 111 111
  76 51 51
  77 13 13
  78 7 7
  80 19 19
  81 11 11
  82 5 5
  85 8 8
  86 5 5
  87 13 13
  88 24 24
  89 167 167
  90 6 6
  91 5 5
  93 33 33
  97 9 9
  98 15 15
  99 38 38
  100 28 28
  101 14 14
  102 5 5
  107 107 107
  111 11 11
  112 5 5
  113 11 11
  114 5 5
  122 8 8
  123 17 17
  124 10 10
  125 46 46
  126 19 19
  127 19 19
  129 6 6
  135 8 8
  139 5 5
  147 5 5
  149 26 26
  150 124 124
  151 224 224
  152 91 91
  153 15 15
  154 9 9
  160 8 8
  168 5 5
  175 9 9
  176 34 34
  177 160 160
  178 290 290
  179 66 66
  180 11 11
  186 7 7
  187 17 17
  188 6 6
  207 7 7
  212 18 18
  213 999 999
  214 191 191
  215 350 350
  216 64 64
  332 7 7
//