MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011282
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011282
RECORD_TITLE: ORTHO-CHLORONITROBENZENE; 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$NAME: ORTHO-CHLORONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4ClNO2
CH$EXACT_MASS: 156.99306
CH$SMILES: [O-1][N+1](=O)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
CH$LINK: INCHIKEY
BFCFYVKQTRLZHA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020280
AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-06vj-9600000000-93355ce0298bbe4b7b67
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 2.69 27
28 4.8 48
30 59.17 592
37 4.87 49
38 6.12 61
39 8.25 83
46 4.38 44
49 3.32 33
50 34.43 344
51 17.53 175
52 1.31 13
53 1.08 11
61 4.59 46
62 2.88 29
63 9.36 94
64 2.92 29
72 1.48 15
73 11.74 117
74 18.37 184
75 99.99 999
76 15.98 160
77 1.23 12
84 3.3 33
85 10.75 108
86 1.67 17
87 3.63 36
99 67.96 680
100 3.94 39
101 21.79 218
111 70.36 704
112 5.47 55
113 22.24 222
114 1.64 16
125 1.48 15
127 34.16 342
128 2.72 27
129 10.76 108
141 21.43 214
142 1.69 17
143 6.97 70
157 68.37 684
158 10.55 106
159 22.24 222
160 3.36 34
//