MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002915
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002915
RECORD_TITLE: M-HYDROXY NITROBEZENE; 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$NAME: M-HYDROXY NITROBEZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025765
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-9300000000-61a9f9ee5abf083439c5
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 6.19 62
29 3.64 36
30 10.58 106
37 3.81 38
38 11.85 119
39 70.42 704
43 2.15 22
50 5.24 52
51 4.14 41
53 17.06 171
61 2.72 27
62 7.4 74
63 17.25 173
64 8.88 89
65 78.2 782
66 6.88 69
74 2.25 23
81 18.79 188
93 62.29 623
94 4.14 41
109 6.16 62
123 2.23 22
139 99.99 999
140 7.18 72
//
system version 2.2.6-SNAPSHOT