MassBank Record: MSBNK-AGILENT-AG000052
ACCESSION: MSBNK-AGILENT-AG000052
RECORD_TITLE: Carbofuran; ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 222.1124698045
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-1900000000-842111b7d612a8d11ce6
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
55.054227 11.879934 118
58.02874 2.132866 21
77.038577 1.018577 10
91.054227 3.182208 31
95.049141 1.233415 12
111.044056 1.007505 10
119.085527 3.236243 32
123.044056 100 999
137.059706 6.661638 66
147.080441 2.410543 24
165.091006 24.428145 244
//