MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000214
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000214
RECORD_TITLE: PARA NITRO ANILINE; 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$NAME: PARA NITRO ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6N2O2
CH$EXACT_MASS: 138.04293
CH$SMILES: Nc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
CH$LINK: INCHIKEY
TYMLOMAKGOJONV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020961
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$SPLASH: splash10-00kr-9300000000-f6af77a419a9dfca0d47
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
26 1.11 11
27 2.23 22
28 7.8 78
30 7.53 75
37 3.07 31
38 8.75 88
39 32.5 325
40 3.12 31
41 10.54 105
42 2.68 27
50 3.9 39
51 4.29 43
52 13.15 132
53 8.92 89
54 3.12 31
61 2.68 27
62 6.24 62
63 15.27 153
64 11.32 113
65 99.99 999
66 11.65 117
74 1.67 17
75 1.23 12
79 1.11 11
80 17.73 177
81 1.11 11
90 1.45 15
91 4.46 45
92 43.48 435
93 2.79 28
108 42.81 428
109 2.79 28
121 4.96 50
138 83.5 835
139 8.08 81
//
system version 2.2.6-SNAPSHOT