MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001671
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001671
RECORD_TITLE: PARA-NITROBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA-NITROBENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H4N2O2
CH$EXACT_MASS: 148.02728
CH$SMILES: N#Cc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H
CH$LINK: INCHIKEY
NKJIFDNZPGLLSH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7060706
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-9700000000-8aa8029bcd60db9a3b18
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 3.9 39
30 32.99 330
37 3.09 31
38 2.95 30
39 3.68 37
49 1.84 18
50 16.13 161
51 22.83 228
52 5.15 52
62 2.21 22
63 5.15 52
64 3.09 31
73 1.4 14
74 6.11 61
75 38.59 386
76 18.04 180
90 22.97 230
91 1.4 14
98 1.84 18
102 99.99 999
103 7.66 77
118 7.73 77
132 1.55 16
148 48.9 489
149 4.34 43
//
system version 2.2.6-SNAPSHOT