MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000011
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000011
RECORD_TITLE: O-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: O-NITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021790
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-01p9-9400000000-b0dcd6f6804e94a669df
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
51 15.85 159
52 8.42 84
53 28.05 281
54 2.29 23
55 2.27 23
60 1.06 11
61 5.75 58
62 17.29 173
63 45.11 451
64 41.62 416
65 51.77 518
66 6.47 65
67 1.78 18
73 1.15 12
74 2.73 27
75 2.38 24
76 1.44 14
77 2.77 28
78 5.63 56
79 1.16 12
80 8.72 87
81 30.38 304
82 1.93 19
91 2.46 25
92 11.94 119
93 13.15 132
94 6.55 66
106 4.18 42
108 3.71 37
109 30.58 306
110 2.04 20
122 7.2 72
123 1.85 19
138 13.61 136
139 99.99 999
140 7.57 76
//