MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010295
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010295
RECORD_TITLE: (E)-3-CYANOMETHYLENE-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$NAME: (E)-3-CYANOMETHYLENE-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10N2O2
CH$EXACT_MASS: 226.07423
CH$SMILES: N#CC([H])=C(C2)C(=O)N(C(=O)2)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C13H10N2O2/c1-9-2-4-11(5-3-9)15-12(16)8-10(6-7-14)13(15)17/h2-6H,8H2,1H3/b10-6+
CH$LINK: INCHIKEY
POSKQLATMWPYAJ-UXBLZVDNSA-N
AC$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: splash10-004i-9460000000-6a7a7539b0b9ed620f19
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
38 9 90
39 9.11 91
51 8.39 84
52 5.14 51
64 12.13 121
65 39.88 399
75 12.91 129
76 7.86 79
77 5.19 52
86 12.29 123
87 33.3 333
96 8.08 81
98 9.88 99
99 6.02 60
133 13.02 130
135 7.3 73
161 16.07 161
169 6.31 63
170 5.54 55
183 15.73 157
197 6.45 65
198 19.45 195
211 9.82 98
225 7.36 74
226 99.99 999
227 15.39 154
//