ACCESSION: MSBNK-EPA-ENTACT_AGILENT000618
RECORD_TITLE: 1-(Hydroxymethyl)-5,5-dimethylhydantoin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-(Hydroxymethyl)-5,5-dimethylhydantoin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀N₂O₃
CH$EXACT_MASS: 158.0691422007
CH$SMILES: CC1(C)C(=O)NC(=O)N1CO
CH$IUPAC: InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)
CH$LINK: CAS 116-25-6
CH$LINK: INCHIKEY SIQZJFKTROUNPI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67000

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$FOCUSED_ION: PRECURSOR_M/Z 159.0764186524
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0059-9000000000-99140fdd3857ae58a8ab
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  61.007276 1.167536 11
  63.00767 1.086917 10
  63.994366 3.259467 32
  65.99744 2.749695 27
  79.017841 100.000002 999
  79.054227 2.836192 28
  80.025666 1.698543 16
  81.020915 96.100575 960
  81.054621 2.918741 29
  81.065854 1.773361 17
  100.998168 2.19031 21
//