MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000227
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000227
RECORD_TITLE: ORTHO-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$NAME: ORTHO-NITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021790
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$SPLASH: splash10-00or-9400000000-0b2fa2c21d7e26794876
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 4.3 43
27 8.7 87
28 3.1 31
29 0.22 2
30 11.3 113
37 7.5 75
38 18.7 187
39 5.6 56
40 2.6 26
49 1.9 19
50 8.2 82
51 1.35 14
52 5.9 59
53 16.9 169
54 1.5 15
55 0.17 2
61 4.7 47
62 10.1 101
63 39.4 394
64 2.88 29
65 50.3 503
66 4.4 44
67 1.6 16
74 0.26 3
75 2.8 28
76 1.5 15
78 7 70
79 0.11 1
80 1.1 11
81 30.6 306
82 1.9 19
92 0.98 10
93 11.6 116
94 6.4 64
106 3.9 39
109 2.52 25
110 2.4 24
112 6.8 68
113 1.9 19
129 99.99 999
130 7.6 76
131 1.2 12
//