MassBank Record: MSBNK-AGILENT-AG000054
ACCESSION: MSBNK-AGILENT-AG000054
RECORD_TITLE: Carbofuran; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Carbofuran
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO3
CH$EXACT_MASS: 221.10519
CH$SMILES: CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2
CH$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: CHEMSPIDER
2468
CH$LINK: INCHIKEY
DUEPRVBVGDRKAG-UHFFFAOYSA-N
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 222.1124698045
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9600000000-8437cce2d1d70c526aa5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
51.022927 6.710057 67
53.038577 2.786624 27
55.017841 4.182815 41
55.054227 28.784026 287
58.02874 9.13743 91
65.038577 8.262594 82
67.054227 16.709196 166
77.038577 40.440806 404
79.054227 1.792263 17
81.033491 1.533423 15
91.054227 28.183965 281
93.033491 1.735781 17
95.049141 16.423273 164
103.054227 1.850395 18
104.062052 1.052571 10
105.033491 9.854111 98
107.049141 1.673379 16
117.069877 1.591685 15
119.049141 2.213842 22
119.085527 1.566128 15
123.044056 100 999
131.049141 1.00328 10
137.059706 2.008781 20
//
system version 2.2.6-SNAPSHOT