MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009524
RECORD_TITLE: 4-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-NITROPHENOL
CH$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-80
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: splash10-05n0-9300000000-f284a324180bf4d7ffc2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
25 4.51 45
26 3.52 35
27 1.82 18
28 5.26 53
29 41.39 414
37 7.16 72
38 17.29 173
39 56.89 569
40 1.74 17
42 1.84 18
46 22.12 221
49 1.96 20
50 12.41 124
51 9.82 98
52 8.33 83
53 23.74 237
54 3.2 32
55 3.93 39
60 1.43 14
61 10.82 108
62 22.22 222
63 41.94 419
64 14.77 148
65 99.99 999
66 8.7 87
67 1.68 17
73 1.62 16
74 6.86 69
75 4.71 47
76 1.3 13
79 1.31 13
80 1.01 10
81 48.26 483
82 3.17 32
92 2.94 29
93 21.41 214
94 1.86 19
109 80.6 806
110 6.04 60
123 6.44 64
139 74.57 746
140 9.4 94
//