MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008237
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008237
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 4-NITROPHENOL
CH$NAME: 4-HYDROXYNITROBENZENE
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: CAS
100-02-7
CH$LINK: INCHIKEY
BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021834
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-000i-9400000000-b5aea5436a88b29179e9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
30 7.67 77
38 11.99 120
39 61.51 615
43 1.06 11
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
//