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
//