MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002916
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002916
RECORD_TITLE: P-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$NAME: P-HYDROXY NITROBENZEN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021834
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-9400000000-670d24ff2b2b121a7ab8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
18 7.44 74
27 9.13 91
29 5.38 54
30 7.67 77
38 11.99 120
39 61.51 615
44 3.6 36
45 3.8 38
50 3.93 39
51 3.65 37
52 3.51 35
53 16.88 169
62 7.38 74
63 16.81 168
64 7.54 75
65 70.34 703
66 4.55 46
81 20.84 208
93 24.2 242
109 31.5 315
123 5.54 55
139 99.99 999
140 5.55 56
//
system version 2.2.6-SNAPSHOT