ACCESSION: MSBNK-MSSJ-MSJ02176
RECORD_TITLE: Cyanoguanidine; ESI-QTOF; MS; ESI; NEGATIVE
DATE: 2021.10.06
AUTHORS: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
LICENSE: CC BY
COPYRIGHT: Atsushi Yamamoto, Faculty of Environmental Studies, Tottori University of Environmental Studies, 1-1, Wakabadai-kita, Tottori City, Tottori 689-1111, Japan.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 22HP8019 to the Mass Spectrometry Society of Japan.
COMMENT: The sample was injected by direct infusion.

CH$NAME: Cyanoguanidine
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₂H₄N₄
CH$EXACT_MASS: 84.04358
CH$SMILES: N#CNC(=N)N
CH$IUPAC: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
CH$LINK: CAS 461-58-5
CH$LINK: CHEMSPIDER 9611
CH$LINK: INCHIKEY QGBSISYHAICWAH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10005

AC$INSTRUMENT: X500R QTOF (AB Sciex LLC, USA)
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI

PK$SPLASH: splash10-001i-9000000000-87a9290d1560e82b51b5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  83.0363 100 999
  119.013 6.5068 65
  121.0101 2.3602 24
//