MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007974
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