MassBank Record: MSJ01079



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

ACCESSION: MSJ01079
RECORD_TITLE: Allidochlor; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Allidochlor CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C8H12ClNO CH$EXACT_MASS: 173.06074 CH$SMILES: C=CCN(CC=C)C(=O)CCl CH$IUPAC: InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2 CH$LINK: INCHIKEY MDBGGTQNNUOQRC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:7157
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$CHROMATOGRAPHY: RETENTION_TIME 4.58 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 173.06
PK$SPLASH: splash10-0006-9200000000-0926186d1975a0fc92b4 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 40 44 44 41 999 999 42 147 147 43 63 63 49 72 72 51 27 27 52 7 7 53 22 22 54 59 59 55 66 66 56 530 530 57 35 35 58 7 7 67 33 33 68 83 83 69 36 36 70 246 246 71 13 13 76 15 15 77 85 85 78 11 11 79 56 56 80 52 52 81 88 88 82 103 103 83 28 28 84 25 25 93 7 7 94 29 29 95 11 11 96 115 115 97 21 21 98 27 27 106 7 7 107 17 17 108 12 12 109 9 9 110 30 30 118 5 5 124 81 81 125 7 7 130 11 11 131 9 9 132 232 232 133 16 16 134 76 76 137 6 6 138 277 277 139 31 31 144 5 5 145 11 11 146 11 11 158 17 17 160 5 5 173 21 21 175 5 5 //