ACCESSION: MSBNK-MSSJ-MSJ01091
RECORD_TITLE: Isoprocarb; 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$NAME: Isoprocarb
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₁H₁₅NO₂
CH$EXACT_MASS: 193.11028
CH$SMILES: CNC(=O)Oc(c1)c(ccc1)C(C)C
CH$IUPAC: InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
CH$LINK: INCHIKEY QBSJMKIUCUGGNG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17517
CH$LINK: COMPTOX DTXSID6042072

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 6.3 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 193.1

PK$SPLASH: splash10-00di-4900000000-1dacd913ecac09438433
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  40 8 8
  41 38 38
  42 18 18
  43 18 18
  45 7 7
  50 11 11
  51 50 50
  52 7 7
  53 23 23
  57 20 20
  61 18 18
  62 7 7
  63 21 21
  64 12 12
  65 66 66
  66 20 20
  67 17 17
  74 8 8
  75 15 15
  76 5 5
  77 189 189
  78 20 20
  79 16 16
  89 10 10
  91 162 162
  92 19 19
  93 98 98
  94 16 16
  102 22 22
  103 213 213
  104 12 12
  107 35 35
  115 27 27
  117 11 11
  119 10 10
  120 14 14
  121 999 999
  122 102 102
  123 8 8
  131 5 5
  136 420 420
  137 42 42
//