MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004014
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004014
RECORD_TITLE: ORTHO-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$NAME: ORTHO-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
CH$LINK: INCHIKEY
QWVGKYWNOKOFNN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021808
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$SPLASH: splash10-0pbi-9200000000-be9e6e56af8374e66beb
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
29 13 130
31 1.5 15
32 1.1 11
36 0.3 3
37 13 130
38 19.1 191
39 42.2 422
40 0.55 6
41 3.1 31
42 2 20
43 3.8 38
48 0.17 2
49 5 50
50 24.2 242
51 32.2 322
52 1.4 14
53 22.6 226
54 6.5 65
55 5.3 53
61 0.39 4
62 6.2 62
63 13.9 139
64 7.9 79
65 0.65 7
66 6.2 62
67 1.3 13
68 3.9 39
73 0.2 2
74 4.1 41
75 4.5 45
76 1.9 19
77 4.61 46
78 14 140
79 42 420
80 18.8 188
81 0.42 4
89 14.2 142
90 28 280
91 8.8 88
107 8.87 89
108 99.99 999
109 6.7 67
//