ACCESSION: MSBNK-EPA-ENTACT_AGILENT001499
RECORD_TITLE: 1-(o-Tolyl)biguanide; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-03dl-9800000000-d5132404d1182a7cb285
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  60.055624 100.000002 999
  60.080776 5.666701 56
  60.093352 3.220317 32
  133.076025 3.860321 38
  150.102574 3.500908 34
  175.097823 2.707918 27
  192.124372 87.213973 871
//