MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007972
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007972
RECORD_TITLE: ETHOTOIN; 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$NAME: ETHOTOIN
CH$NAME: 3-ETHYL-5-PHENYL-2,4-IMIDAZOLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O2
CH$EXACT_MASS: 204.08988
CH$SMILES: CCN(C(=O)2)C(=O)C(N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
CH$LINK: INCHIKEY
SZQIFWWUIBRPBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023020
AC$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: splash10-0zfr-4920000000-137fae4223f8b51dd5cd
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
51 5.48 55
52 13.51 135
53 4.68 47
56 4.64 46
62 1.13 11
63 3.31 33
64 1.15 12
70 7.97 80
72 16.79 168
75 1.28 13
76 4.68 47
77 26.83 268
78 18.16 182
79 2.53 25
89 4.74 47
90 3.45 35
91 3.42 34
103 13.3 133
104 95 950
105 99.99 999
106 9.71 97
118 3.84 38
133 23.01 230
134 2.01 20
161 3.32 33
175 1.58 16
176 3.83 38
202 3.5 35
204 71.56 716
205 9.24 92
//