MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011262
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011262
RECORD_TITLE: META-AMINOPHENOL; 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$NAME: META-AMINOPHENOL
CH$NAME: 3-AMINOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO
CH$EXACT_MASS: 109.05276
CH$SMILES: Nc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
CH$LINK: INCHIKEY
CWLKGDAVCFYWJK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024497
AC$INSTRUMENT: HITACHI M-80A
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: splash10-0pc0-9200000000-2adddd2c83a52d651775
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 4.08 41
27 11.25 113
28 8.16 82
29 7.86 79
30 1.57 16
37 15.11 151
38 11.06 111
39 19.75 198
40 8.76 88
41 12.59 126
42 7.68 77
43 1.64 16
44 1.32 13
49 1.99 20
50 7.19 72
51 9.46 95
52 15.92 159
53 25.2 252
54 12.24 122
55 5.05 51
61 3 30
62 4.59 46
63 8.84 88
64 6.65 67
65 6.65 67
66 4.05 41
67 1.76 18
68 7.6 76
69 1.92 19
70 2.04 20
76 1.24 12
78 2.32 23
79 2.01 20
80 70.92 709
81 25.15 252
82 7.09 71
91 2.61 26
92 1.25 13
94 1.03 10
108 4.63 46
109 99.99 999
110 7.77 78
//