ACCESSION: MSBNK-EPA-ENTACT_AGILENT000617
RECORD_TITLE: 1-(Hydroxymethyl)-5,5-dimethylhydantoin; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0059-9000000000-45750e93d31a25f12260
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  47.00018 1.562145 15
  48.99202 1.261218 12
  61.007276 6.751793 67
  62.015101 1.587254 15
  63.00767 5.670086 56
  63.994366 17.674646 176
  64.015495 2.927902 29
  65.99744 16.453201 164
  79.017841 100.000002 999
  79.054227 2.75563 27
  80.025666 1.777268 17
  81.020915 94.745266 946
  81.054621 2.708514 27
  81.065854 1.614507 16
//