MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008433
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008433
RECORD_TITLE: O-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: O-METHOXYPHENOL
CH$NAME: GUAIACOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
CH$LINK: INCHIKEY
LHGVFZTZFXWLCP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023113
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0pir-9700000000-f1436b3de82cff342b65
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 7.09 71
26 4.99 50
27 14.14 141
29 5.19 52
31 1.32 13
37 2.87 29
38 6.13 61
39 14.99 150
41 1.92 19
49 1.45 15
50 9.39 94
51 13.64 136
52 15.76 158
53 21.26 213
54 2.11 21
55 4.61 46
61 1.6 16
62 3.87 39
63 8.19 82
64 2.87 29
65 8.1 81
66 1.54 15
67 1.1 11
74 1.04 10
77 3.55 36
79 1.7 17
80 2.56 26
81 80.88 809
82 4.6 46
95 2.66 27
109 99.99 999
110 6.75 68
124 86.46 865
125 6.83 68
//
system version 2.2.6-SNAPSHOT