ACCESSION: MSBNK-MSSJ-MSJ01047
RECORD_TITLE: Mitotane; 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$NAME: Mitotane
CH$NAME: O,p'-DDD
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₄H₁₀Cl₄
CH$EXACT_MASS: 317.95366
CH$SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
CH$IUPAC: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
CH$LINK: INCHIKEY JWBOIMRXGHLCPP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4211
CH$LINK: COMPTOX DTXSID9020372

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 13.35 min

PK$SPLASH: splash10-000i-2590000000-2d3f8090ffa4733bf9ee
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  40 12 8
  50 40 26
  51 42 28
  62 15 10
  63 37 24
  73 17 11
  74 50 33
  75 145 96
  76 48 32
  77 29 19
  81 29 19
  82 125 82
  83 24 16
  85 17 11
  86 14 9
  87 40 26
  88 159 105
  89 35 23
  93 24 16
  94 7 5
  99 20 13
  100 50 33
  101 86 57
  102 55 36
  103 11 7
  105 26 17
  106 49 32
  107 20 13
  110 12 8
  111 20 13
  112 12 8
  113 15 10
  114 9 6
  115 11 7
  123 28 18
  124 12 8
  125 21 14
  126 21 14
  127 7 5
  135 11 7
  136 53 35
  137 68 45
  138 34 22
  139 38 25
  149 18 12
  150 37 24
  151 43 28
  152 23 15
  162 10 7
  163 73 48
  164 96 63
  165 688 454
  166 97 64
  171 9 6
  172 15 10
  173 10 7
  174 28 18
  175 33 22
  176 184 121
  177 77 51
  178 140 92
  182 0 0
  189 0 0
  191 14 9
  199 244 161
  200 145 96
  201 107 71
  202 49 32
  203 7 5
  210 11 7
  211 9 6
  212 148 98
  213 36 24
  214 55 36
  215 13 9
  235 1515 999
  236 178 117
  237 999 659
  238 140 92
  239 172 113
  240 23 15
  246 15 10
  247 28 18
  248 38 25
  249 21 14
  250 22 15
  282 24 16
  284 52 34
  285 9 6
  286 25 16
  318 37 24
  320 34 22
  322 17 11
//