MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004011
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004011
RECORD_TITLE: PARA-METHOXYPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHOXYPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: COc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
CH$LINK: INCHIKEY
NWVVVBRKAWDGAB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4020828
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00du-9300000000-7365fadaa1b55aee92c0
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
25 2 20
26 7.5 75
27 22.9 229
28 0.43 4
29 13.2 132
30 2.9 29
31 2.5 25
35 0.25 3
37 6 60
38 15.5 155
39 36.2 362
40 0.6 6
41 12.4 124
42 3.1 31
43 3 30
49 0.18 2
50 10.5 105
51 16.8 168
52 13.1 131
53 3.21 32
54 4.5 45
55 11.5 115
56 1.9 19
61 0.35 4
62 8.3 83
63 14 140
64 7.8 78
65 1.94 19
66 23.7 237
67 6 60
68 3.7 37
69 1.09 11
73 1.8 18
74 3.1 31
75 2 20
76 0.17 2
77 10.6 106
78 7.9 79
79 5.3 53
80 0.5 5
81 39.1 391
82 3.3 33
90 2.6 26
91 0.25 3
92 3.5 35
93 5.9 59
94 60 600
95 3.54 35
96 3 30
105 3 30
106 2.1 21
107 0.79 8
108 6.7 67
109 8.2 82
110 2.9 29
121 0.22 2
122 2 20
123 9.1 91
124 99.99 999
125 0.83 8
136 7 70
//
system version 2.2.6-SNAPSHOT