MassBank Record: MSBNK-MSSJ-MSJ01046
ACCESSION: MSBNK-MSSJ-MSJ01046
RECORD_TITLE: Xylylcarb; 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$NAME: Xylylcarb
CH$NAME: MPMC
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC1=C(C=C(C=C1)OC(=O)NC)C
CH$IUPAC: InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
CH$LINK: INCHIKEY
WCJYTPVNMWIZCG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:17040
CH$LINK: COMPTOX
DTXSID3058032
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$CHROMATOGRAPHY: RETENTION_TIME 6.73 min
PK$SPLASH: splash10-05fr-3900000000-e9f88836bc146dd3a5fa
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
40 8 8
41 24 24
43 7 7
44 13 13
45 7 7
50 11 11
51 39 39
52 15 15
53 29 29
54 5 5
55 21 21
56 67 67
57 149 149
58 36 36
60 7 7
63 11 11
64 7 7
65 35 35
66 7 7
67 12 12
75 5 5
76 5 5
77 155 155
78 35 35
79 61 61
89 4 4
91 97 97
92 16 16
93 24 24
94 12 12
103 16 16
104 13 13
105 19 19
106 13 13
107 684 684
108 53 53
119 5 5
120 12 12
121 242 242
122 999 999
123 85 85
124 5 5
179 17 17
//
system version 2.2.6-SNAPSHOT