MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010294
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010294
RECORD_TITLE: (E)-3-(ETHOXYCARBONYLMETHYLENE)-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (E)-3-(ETHOXYCARBONYLMETHYLENE)-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H15NO4
CH$EXACT_MASS: 273.10011
CH$SMILES: CCOC(=O)C([H])=C(C2)C(=O)N(C(=O)2)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C15H15NO4/c1-3-20-14(18)9-11-8-13(17)16(15(11)19)12-6-4-10(2)5-7-12/h4-7,9H,3,8H2,1-2H3/b11-9+
CH$LINK: INCHIKEY
DEMLAUGQGJJHLG-PKNBQFBNSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fr-4390000000-6ae1f7a5ff96809f4736
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 4.57 46
29 21.68 217
39 22.35 224
65 3.82 38
66 5.17 52
67 25.11 251
81 6.99 70
82 4.49 45
89 6.4 64
98 8.62 86
108 6.42 64
110 4.39 44
111 6.86 69
114 4.95 50
132 9.98 100
133 7.99 80
139 9.53 95
143 5.9 59
144 4.46 45
155 5.43 54
156 6.19 62
172 10.86 109
173 4.82 48
199 7.28 73
200 5.33 53
201 4.63 46
227 85.03 850
228 26.36 264
273 99.99 999
274 22.35 224
//
system version 2.2.8-SNAPSHOT