ACCESSION: MSBNK-EPA-ENTACT_AGILENT001495
RECORD_TITLE: 1-(o-Tolyl)biguanide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-(o-Tolyl)biguanide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃N₅
CH$EXACT_MASS: 191.1170954517
CH$SMILES: CC1C=CC=CC=1NC(=N)NC(N)=N
CH$IUPAC: InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
CH$LINK: CAS 93-69-6
CH$LINK: INCHIKEY SQZCAOHYQSOZCE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7155

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$FOCUSED_ION: PRECURSOR_M/Z 192.1243719034
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-9200000000-832514842fcc9fde563d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  43.029075 3.447422 34
  60.055624 99.999999 999
  60.080776 5.932166 59
  60.093352 3.392918 33
  91.054227 1.094449 10
  106.065126 3.385516 33
  108.080776 1.756361 17
  116.049476 3.270635 32
  133.076025 12.562466 125
  150.102574 3.847918 38
  158.071274 1.060045 10
  175.097823 2.007299 20
  192.124372 1.93872 19
//