MassBank Record: MSBNK-Waters-WA002790
ACCESSION: MSBNK-Waters-WA002790
RECORD_TITLE: Carbofuran; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Carbofuran
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO3
CH$EXACT_MASS: 221.10519
CH$SMILES: CNC(=O)Oc(c2)c(O1)c(cc2)CC(C)(C)1
CH$IUPAC: InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
CH$LINK: CAS
1563-66-2
CH$LINK: INCHIKEY
DUEPRVBVGDRKAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020249
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.840 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0lk9-0900000000-da5080d504fe56d3b00f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
102 43 43
103 678 678
104 153 153
105 639 639
106 121 121
107 114 114
108 8 8
109 16 16
110 90 90
111 12 12
113 8 8
114 8 8
115 145 145
116 31 31
117 78 78
118 999 999
119 90 90
121 8 8
123 913 913
124 74 74
127 43 43
128 39 39
129 20 20
131 215 215
132 47 47
134 16 16
135 24 24
144 8 8
145 16 16
147 20 20
150 8 8
160 8 8
168 8 8
179 8 8
184 8 8
187 8 8
221 8 8
222 8 8
//
system version 2.2.6-SNAPSHOT