MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007979
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007979
RECORD_TITLE: ETHOTOIN; CI-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$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0a4i-1190000000-3ade8f65bbabe08f852a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
61 1.48 15
72 5.06 51
74 1.33 13
79 8.33 83
91 1.73 17
93 1.24 12
104 2.11 21
105 2.13 21
106 1.81 18
107 1.79 18
127 7.09 71
129 5.04 50
133 1.24 12
141 1.02 10
143 3.88 39
157 1.45 15
164 3.18 32
178 1.18 12
203 1.13 11
204 4.17 42
205 99.99 999
206 13.3 133
207 1.22 12
219 9.81 98
220 1.35 14
233 15.38 154
234 2.25 23
245 4.71 47
247 1.87 19
//