MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002914
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002914
RECORD_TITLE: O-HYDROXY NITROBENZEN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: O-HYDROXY NITROBENZEN
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9400000000-5e9ee1def0d14ad0f214
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
18 4.16 42
26 3.1 31
27 8.59 86
29 2.83 28
30 9.83 98
37 5.25 53
38 13.97 140
39 42.99 430
40 2.22 22
44 3.09 31
50 5.64 56
51 9.62 96
52 5.29 53
53 17.38 174
55 2.64 26
61 3.2 32
62 7.76 78
63 30.57 306
64 23.91 239
65 38.92 389
66 5.6 56
78 4.19 42
80 3.05 31
81 21.02 210
92 9.06 91
93 12.88 129
94 5.58 56
106 3.26 33
109 17.67 177
122 7.01 70
123 2.61 26
139 99.99 999
140 7.06 71
//