MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002806
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002806
RECORD_TITLE: METHYL 4-HYDROXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: COC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
CH$LINK: INCHIKEY
LXCFILQKKLGQFO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022529
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-5900000000-f3eccc0d6c2c948bd57b
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
14 0.1 1
15 1.3 13
17 0.1 1
18 0.06 1
26 0.2 2
27 0.5 5
28 1.7 17
29 0.08 1
30 0.1 1
31 0.4 4
32 0.4 4
35 0.03 0
36 2.3 23
37 0.9 9
38 2.9 29
39 1.06 11
40 0.4 4
41 0.4 4
42 0.2 2
43 0.03 0
44 0.1 1
45 0.1 1
46 0.4 4
47 0.01 0
49 0.2 2
50 1.4 14
51 1 10
52 0.04 0
53 2.5 25
54 0.2 2
55 0.3 3
59 0.04 0
60 0.2 2
61 0.8 8
62 2 20
63 0.45 5
64 2.7 27
65 16.6 166
66 1.7 17
67 0.03 0
69 0.1 1
73 0.2 2
74 0.8 8
75 0.06 1
76 0.2 2
77 0.4 4
78 0.1 1
79 0.04 0
80 0.3 3
81 0.2 2
82 0.1 1
90 0.01 0
91 0.3 3
92 2.1 21
93 21.5 215
94 0.17 2
95 0.6 6
105 0.1 1
107 0.5 5
108 0.03 0
109 0.3 3
119 0.2 2
120 0.9 9
121 99.99 999
122 8.2 82
123 1.3 13
124 0.1 1
135 0.02 0
136 0.2 2
150 0.1 1
151 1.9 19
152 3.69 37
153 3.4 34
154 0.4 4
//
system version 2.2.8-SNAPSHOT