MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010194
RECORD_TITLE: 5-BENZYL-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE; 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$NAME: 5-BENZYL-2-PARA-TOLYLPERHYDROPYRROLO(3,4-C)PYRROLE-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H20N2O2
CH$EXACT_MASS: 320.15248
CH$SMILES: Cc(c4)ccc(c4)N(C(=O)1)C(=O)C(C2)C(CN(Cc(c3)cccc3)2)1
CH$IUPAC: InChI=1S/C20H20N2O2/c1-14-7-9-16(10-8-14)22-19(23)17-12-21(13-18(17)20(22)24)11-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3
CH$LINK: INCHIKEY
VAYXRPHMCAOOCA-UHFFFAOYSA-N
AC$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: splash10-006x-9233000000-9561390ed8673c5db5ea
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
32 38.21 382
39 9.5 95
41 10.32 103
42 29.52 295
43 8.69 87
44 4.23 42
52 4.32 43
54 3.85 39
56 7.49 75
58 4.41 44
65 12.58 126
67 6.51 65
68 15.87 159
77 6.17 62
78 4.33 43
91 99.99 999
92 27.86 279
104 6.25 63
105 3.99 40
106 4.74 47
107 3.86 39
118 8.78 88
131 4.89 49
132 15.19 152
133 22.03 220
158 14.15 142
159 4.5 45
202 5.71 57
228 8.35 84
229 72.92 729
230 15.09 151
243 22.84 228
319 25.19 252
320 79.95 800
321 18.27 183
//