MassBank Record: MSBNK-MSSJ-MSJ01079
ACCESSION: MSBNK-MSSJ-MSJ01079
RECORD_TITLE: Allidochlor; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 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
CH$LINK: COMPTOX
DTXSID2041591
AC$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
//
system version 2.2.6-SNAPSHOT