MassBank Record: MSBNK-AGILENT-AG000036
ACCESSION: MSBNK-AGILENT-AG000036
RECORD_TITLE: Imazapyr; ESI-QTOF; MS2; CE: 40; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 262.1186178193
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lb-5900000000-74bdfda1a9cc5c5e3ffc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
56.049476 3.043276 30
58.065126 1.590571 15
67.054227 2.822073 28
69.069877 98.011112 979
70.065126 3.431317 34
71.072951 12.346347 123
76.018175 3.48785 34
78.033826 48.637653 485
79.041651 5.281687 52
80.049476 1.395731 13
86.096426 63.556854 634
92.049476 2.839552 28
93.044725 1.174306 11
103.029075 43.993838 439
104.0369 14.664626 146
105.044725 17.115848 170
106.02874 11.810059 117
107.060375 1.176631 11
119.057695 1.155825 11
129.044725 1.262934 12
130.065126 1.474294 14
131.023989 100 999
133.039639 18.420708 184
136.039305 1.135624 11
147.055289 64.253589 641
148.050538 8.346845 83
149.034554 56.866092 568
156.0682 1.712273 17
171.091675 1.215638 12
173.059706 1.699893 16
174.066188 22.204859 221
184.063114 1.513676 15
191.068928 1.92339 19
199.086589 2.332674 23
202.061103 13.161316 131
//
system version 2.2.6-SNAPSHOT