MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011300
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011300
RECORD_TITLE: 4-NITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4-NITROANILINE
CH$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$LINK: CAS
100-01-6
CH$LINK: INCHIKEY
TYMLOMAKGOJONV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020961
AC$INSTRUMENT: HITACHI M-2500
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: splash10-0ap0-9600000000-4508cf17b2ad0f7ca670
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
26 1.24 12
27 1.73 17
28 6.02 60
30 8.55 86
37 3.12 31
38 7.24 72
39 23.44 234
40 2.88 29
41 8.04 80
42 2.61 26
46 2.18 22
50 4.61 46
51 4.7 47
52 13.26 133
53 9.06 91
54 4.19 42
61 3.85 39
62 7.62 76
63 16.18 162
64 10.65 107
65 77.12 771
66 10.76 108
74 2.64 26
75 1.74 17
79 2.13 21
80 31.18 312
81 2.12 21
90 2.03 20
91 6.18 62
93 3.21 32
105 1.01 10
108 99.99 999
109 7.21 72
122 5.98 60
138 74.19 742
139 6.09 61
//