MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004057
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004057
RECORD_TITLE: 5-METHYLRESORCINOL; 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$NAME: 5-METHYLRESORCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: Cc(c1)cc(O)cc(O)1
CH$IUPAC: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
CH$LINK: INCHIKEY
OIPPWFOQEKKFEE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2060123
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$SPLASH: splash10-00di-9500000000-53de0f6e5775ab869216
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
14 1 10
15 1 10
17 1.1 11
18 0.46 5
26 3 30
27 11 110
28 7.4 74
29 0.5 5
31 1 10
32 1 10
37 2.9 29
38 0.7 7
39 22.4 224
40 4 40
41 12.2 122
42 0.38 4
43 11.3 113
45 1.2 12
50 7 70
51 1.32 13
52 5.7 57
53 10.1 101
54 1.5 15
55 1.22 12
61 6.9 69
62 5 50
63 3.4 34
65 0.38 4
66 4.9 49
67 12.1 121
68 0.9 9
69 1.2 12
74 1.3 13
77 10 100
78 9.1 91
79 0.2 2
81 5 50
82 1 10
83 1 10
84 0.1 1
85 1 10
94 1.5 15
95 15.4 154
96 0.46 5
105 1.8 18
106 3.9 39
107 8.2 82
122 0.26 3
123 5.1 51
124 99.99 999
125 7 70
//