MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003523
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003523
RECORD_TITLE: P-NITROCHLOROBENZENE; 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$NAME: P-NITROCHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4ClNO2
CH$EXACT_MASS: 156.99306
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
CH$LINK: INCHIKEY
CZGCEKJOLUNIFY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020281
AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-06vi-8900000000-68ff08d5c681f43053e7
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
30 34 340
36 1.4 14
37 6.9 69
38 7.5 75
39 4.1 41
46 4.7 47
47 1 10
49 0.49 5
50 41 410
51 15 150
60 1.6 16
61 0.65 7
62 4.3 43
63 9.1 91
64 2.9 29
72 0.15 2
73 14.6 146
74 28.4 284
75 88.8 888
76 1.58 16
77 1.2 12
84 3.1 31
85 11.5 115
86 0.17 2
87 4 40
90 1 10
99 47.9 479
100 0.23 2
101 14.3 143
110 1.8 18
111 99.99 999
112 0.75 8
113 32.9 329
114 2.2 22
127 55.4 554
128 0.41 4
129 18.4 184
130 1.3 13
141 8.9 89
143 0.28 3
157 87 870
158 7.7 77
159 28.5 285
160 2.5 25
//