MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010467
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010467
RECORD_TITLE: ORTHO-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$NAME: ORTHO-AMINOPHENOL
CH$NAME: ORTHO-HYDROXYANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO
CH$EXACT_MASS: 109.05276
CH$SMILES: Nc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
CH$LINK: COMPTOX
DTXSID8024498
CH$LINK: INCHIKEY
CDAWCLOXVUBKRW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:5801
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$SPLASH: splash10-0a59-9500000000-64a0083db1618cc2d030
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
26 3.52 35
27 8.37 84
28 9.88 99
29 3.73 37
30 1.25 13
37 2.38 24
38 5.21 52
39 9.63 96
40 3 30
41 4.83 48
42 2.69 27
49 1.37 14
50 5.5 55
51 7.13 71
52 12.47 125
53 16.25 163
54 7.98 80
55 2.66 27
61 1.01 10
62 1.86 19
63 7.97 80
64 7.65 77
65 3.17 32
66 1.33 13
76 1 10
78 1.69 17
79 1.55 16
80 51.86 519
81 6.1 61
91 1.91 19
92 1.63 16
108 7.23 72
109 99.99 999
110 12.37 124
//
system version 2.2.6-SNAPSHOT