MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005730
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005730
RECORD_TITLE: 4-METHOXYPYRIDINE-N-OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXYPYRIDINE-N-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO2
CH$EXACT_MASS: 125.04768
CH$SMILES: COc(c1)cc[n+1]([O-1])c1
CH$IUPAC: InChI=1S/C6H7NO2/c1-9-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: CAS
1122-96-9
CH$LINK: INCHIKEY
BOFAIBPJCWFJFT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30149956
AC$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: splash10-004i-9600000000-3db14c1ab9d482847f1f
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
17 6.2 62
26 9.8 98
27 11.2 112
28 22.6 226
29 8.4 84
30 11.2 112
37 2.7 27
38 7.7 77
39 18.7 187
40 6.1 61
41 3.5 35
50 8.1 81
51 10.7 107
52 11.8 118
53 7.6 76
54 7.7 77
55 5.8 58
56 4.7 47
63 6.2 62
64 2.5 25
65 2 20
66 4.4 44
67 2 20
68 5.9 59
69 4.5 45
78 2.5 25
79 7.6 76
82 8.9 89
83 3.2 32
84 4.4 44
108 2.7 27
109 14.1 141
110 36.7 367
125 99.99 999
126 7.1 71
//