ACCESSION: MSBNK-MSSJ-MSJ01044
RECORD_TITLE: MCPB methyl ester; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.16)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: MCPB methyl ester
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₂H₁₅ClO₃
CH$EXACT_MASS: 242.07097
CH$SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3
CH$LINK: INCHIKEY FWDQLSHRVKQKBS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:521798
CH$LINK: COMPTOX DTXSID30205788

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 8.29 min

PK$SPLASH: splash10-0zfr-8900000000-3a81e75691dfbcd9c35c
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40 8 8
  41 156 156
  42 45 45
  43 11 11
  45 13 13
  50 9 9
  51 44 44
  52 13 13
  53 6 6
  55 8 8
  59 709 709
  60 19 19
  63 23 23
  65 7 7
  69 135 135
  70 7 7
  71 8 8
  73 15 15
  74 11 11
  75 13 13
  76 5 5
  77 177 177
  78 30 30
  79 21 21
  85 5 5
  89 64 64
  90 14 14
  91 15 15
  99 17 17
  100 7 7
  101 999 999
  102 59 59
  103 7 7
  105 11 11
  107 169 169
  108 12 12
  112 7 7
  113 15 15
  115 7 7
  124 4 4
  125 50 50
  127 18 18
  141 40 40
  142 118 118
  143 26 26
  144 37 37
  146 5 5
  155 27 27
  157 10 10
  193 13 13
  211 53 53
  212 5 5
  213 16 16
  242 47 47
  243 6 6
  244 15 15
//