MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003424
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003424
RECORD_TITLE: N-2,4-DINITROPHENYLPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: N-2,4-DINITROPHENYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N3O4
CH$EXACT_MASS: 237.07496
CH$SMILES: [O-1][N+1](=O)c(c2)cc([N+1]([O-1])=O)c(c2)N(C1)CCC1
CH$IUPAC: InChI=1S/C10H11N3O4/c14-12(15)8-3-4-9(10(7-8)13(16)17)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2
CH$LINK: INCHIKEY
ARCUVLVHQWONDY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20303449
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$SPLASH: splash10-00di-3950000000-e829f5ff20ca52861603
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
52 6.1 61
54 6.1 61
63 10.2 102
75 11.6 116
76 18.7 187
77 9.3 93
78 8.9 89
89 0.91 9
90 7.5 75
91 7 70
103 10 100
116 0.75 8
117 7.5 75
118 9.1 91
143 16.7 167
144 1.94 19
145 18.5 185
149 32.7 327
162 10 100
164 0.84 8
174 10.2 102
180 16.2 162
189 55.6 556
190 9.51 95
191 12.3 123
220 99.99 999
221 13.9 139
237 3.34 33
238 5.7 57
//
system version 2.2.6-SNAPSHOT