MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007974

PARAMETHADIONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007974
RECORD_TITLE: PARAMETHADIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: PARAMETHADIONE
CH$NAME: 5-METHYL-3,5-DIMETHYL-2,4-OXAZOLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H11NO3
CH$EXACT_MASS: 157.07389
CH$SMILES: CCC(C)(O1)C(=O)N(C)C(=O)1
CH$IUPAC: InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3
CH$LINK: INCHIKEY VQASKUSHBVDKGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023420

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-004i-6900000000-cb5c4b22a5f6eea03ccb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  51 1.35 14
  53 1.89 19
  54 1.15 12
  55 9.19 92
  56 8.54 85
  57 35.18 352
  58 11.5 115
  69 1.71 17
  70 1.35 14
  71 1.49 15
  72 11.76 118
  73 5.96 60
  83 2.24 22
  87 1.97 20
  100 4.61 46
  128 10.34 103
  129 99.99 999
  130 5.98 60
  142 1.3 13
  157 2.41 24
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo