ACCESSION: MSBNK-EPA-ENTACT_AGILENT001496
RECORD_TITLE: 1-(o-Tolyl)biguanide; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-01ox-9200000000-5de937af1f334a260e14
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43.029075 76.638599 765
  43.054227 3.741185 37
  60.055624 100.000005 999
  60.080776 4.610558 46
  60.093352 2.441784 24
  65.038577 17.352307 173
  68.024324 3.922476 39
  77.038577 6.026895 60
  79.054227 8.936975 89
  85.050873 1.49018 14
  89.038577 10.58242 105
  91.054227 58.327617 582
  91.110399 1.58185 15
  93.057301 8.950686 89
  104.049476 1.70701 17
  106.065126 38.696105 386
  106.108722 1.337719 13
  108.080776 4.114575 41
  116.049476 24.762775 247
  117.057301 1.658427 16
  118.05255 3.588032 35
  131.060375 1.776549 17
  132.0682 3.524711 35
  133.076025 5.601388 55
//