MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000225
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000225
RECORD_TITLE: PARA-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-NITROPHENOL
CH$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$LINK: INCHIKEY
BTJIUGUIPKRLHP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021834
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00or-9500000000-a23a22fc322241325904
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
26 5.3 53
27 10.5 105
28 1.6 16
29 0.33 3
30 11.7 117
37 6.7 67
38 16.8 168
39 8.1 81
40 3.1 31
42 1.5 15
43 1.5 15
49 0.16 2
50 9.3 93
51 8 80
52 5.2 52
53 1.36 14
54 2.1 21
55 3.5 35
61 6.4 64
62 1.21 12
63 24.6 246
64 10.9 109
65 99.99 999
66 0.62 6
67 1.2 12
73 1.3 13
74 4.8 48
75 0.33 3
81 27.6 276
82 1.7 17
92 2.3 23
93 2.31 23
94 1.7 17
109 48.4 484
110 3.5 35
113 0.48 5
129 98.2 982
130 9.2 92
131 1.1 11
//
system version 2.2.6-SNAPSHOT