MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011788
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011788
RECORD_TITLE: ORTHO-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$NAME: ORTHO-METHOXYPHENOL
CH$NAME: 2-METHOXYPHENOL
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-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: splash10-05fr-4900000000-c09a31d9523d2eab5598
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 1.4 14
28 1.63 16
29 1.07 11
38 1.27 13
39 3.14 31
50 2.96 30
51 4.24 42
52 5.25 53
53 7.9 79
55 1.72 17
62 1.85 19
63 3.74 37
64 1.48 15
65 4.07 41
66 1.02 10
77 2.6 26
79 1.18 12
80 1.62 16
81 40.43 404
82 2.48 25
95 2.02 20
109 90.36 904
110 6.33 63
123 1.4 14
124 99.99 999
125 8.22 82
//