MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011789
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011789
RECORD_TITLE: META-METHOXYPHENOL; 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$NAME: META-METHOXYPHENOL
CH$NAME: 3-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
CH$LINK: INCHIKEY
ASHGTJPOSUFTGB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022012
AC$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: splash10-00di-9700000000-3ad15a062ac324441080
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 1.02 10
27 1.68 17
29 1.48 15
38 1.8 18
39 4.32 43
41 1.5 15
42 1.75 18
43 17.61 176
50 2.19 22
51 2.93 29
52 3.3 33
53 7.21 72
55 2.47 25
58 10.28 103
62 2.42 24
63 3.51 35
64 1.78 18
65 5.13 51
66 5.59 56
67 1.08 11
68 1.16 12
69 2.93 29
77 2.08 21
78 1.07 11
79 1.19 12
80 1.45 15
81 22.84 228
82 1.54 15
93 2.73 27
94 29.26 293
95 16.72 167
96 1.31 13
108 1 10
109 21.18 212
110 1.62 16
123 2.61 26
124 99.99 999
125 8.11 81
138 1.23 12
//