ACCESSION: MSBNK-EPA-ENTACT_AGILENT000616
RECORD_TITLE: 1-(Hydroxymethyl)-5,5-dimethylhydantoin; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-03xr-9000000000-cd97f59935667d766cf4
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45.992355 2.956836 29
  47.00018 25.933918 259
  47.984195 3.559454 35
  48.99202 26.990017 269
  61.007276 14.191089 141
  62.015101 7.166481 71
  62.995094 4.435405 44
  63.00767 14.219495 142
  63.994366 100 999
  64.015495 15.269563 152
  64.026729 2.957093 29
  64.039305 1.48922 14
  65.002191 2.490959 24
  65.99744 91.31111 912
  66.021249 2.335381 23
  66.033826 1.341504 13
  79.017841 29.384862 293
  81.020915 26.266091 262
//