MassBank Record: MSBNK-AGILENT-AG000034
ACCESSION: MSBNK-AGILENT-AG000034
RECORD_TITLE: Imazapyr; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Imazapyr
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15N3O3
CH$EXACT_MASS: 261.11134
CH$SMILES: CC1(N=C(NC1=O)C1=NC=CC=C1C(O)=O)C(C)C
CH$IUPAC: InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
CH$LINK: CAS
81334-34-1
CH$LINK: CHEMSPIDER
49445
CH$LINK: INCHIKEY
CLQMBPJKHLGMQK-UHFFFAOYSA-N
AC$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 262.1186178193
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-2390000000-b2e32dfe408819f78166
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
58.065126 1.303957 13
69.069877 37.318385 372
86.096426 34.378081 343
97.064791 2.166513 21
105.044725 3.312523 33
131.023989 4.854921 48
147.055289 5.059243 50
148.050538 7.298797 72
149.034554 38.067577 380
173.107325 9.076042 90
174.066188 12.440485 124
175.086589 1.901965 19
176.081838 1.328068 13
191.068928 2.017945 20
199.086589 13.642754 136
202.061103 43.237331 431
216.113139 8.384811 83
217.097154 100 999
219.063843 1.605719 16
220.071668 43.365874 433
234.123703 24.485109 244
244.108053 1.295381 12
262.118618 54.321744 542
//