MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000216
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000216
RECORD_TITLE: META NITRO PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: META NITRO PHENOL
CH$NAME: META HYDROXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY
RTZZCYNQPHTPPL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025765
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-00kr-9300000000-7e5dce0e1f5aeb2df0d2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
26 1.27 13
27 4.65 47
28 2.1 21
29 1.57 16
30 7.2 72
37 3.07 31
38 8.4 84
39 56.97 570
40 2.4 24
43 2.17 22
50 4.65 47
51 3.75 38
52 1.65 17
53 13.04 130
55 2.55 26
61 2.25 23
62 5.02 50
63 14.69 147
64 8.02 80
65 89.58 896
66 7.05 71
74 2.25 23
75 2.25 23
81 18.67 187
92 4.05 41
93 62.59 626
94 6.75 68
109 4.87 49
120 3 30
138 2.02 20
139 99.99 999
140 7.27 73
//