ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005743
RECORD_TITLE: CYANURIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CYANURIC ACID
CH$NAME: 1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃N₃O₃
CH$EXACT_MASS: 129.01744
CH$SMILES: Oc(n1)nc(O)nc(O)1
CH$IUPAC: InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
CH$LINK: CAS 108-80-5
CH$LINK: INCHIKEY ZFSLODLOARCGLH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024873

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-4900000000-61ecfa8dc25736843860
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  28 3.1 31
  41 1.6 16
  43 33 330
  70 7.2 72
  86 12 120
  87 1.3 13
  129 99.99 999
  130 6.3 63
  131 1.5 15
//