MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004015
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004015
RECORD_TITLE: META-METHYLPHENOL; 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$NAME: META-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
CH$LINK: INCHIKEY
RLSSMJSEOOYNOY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024200
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$SPLASH: splash10-0a4i-9700000000-987a7fd82a03c828f2f6
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
26 5 50
27 18.8 188
28 3.2 32
29 0.5 5
37 4.9 49
38 12.4 124
39 32.5 325
40 0.41 4
41 2.9 29
42 1.3 13
43 2.1 21
49 0.2 2
50 11 110
51 18 180
52 8.1 81
53 1.62 16
54 6.5 65
55 4.5 45
56 2 20
61 0.21 2
62 4 40
63 9.2 92
64 2.9 29
65 0.51 5
66 2.3 23
67 1.5 15
68 1 10
74 0.29 3
75 3 30
76 1.5 15
77 30.2 302
78 0.85 9
79 34 340
80 8.3 83
81 2.3 23
89 0.42 4
90 11 110
91 7.2 72
107 94 940
108 99.99 999
109 8.1 81
//