MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001143
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001143
RECORD_TITLE: META-CRESOL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: META-CRESOL METHYL ETHER
CH$NAME: METHYL META-TOLYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
OSIGJGFTADMDOB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2051500
AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9100000000-ddc9a8cae4d782dc6ce9
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 16.5 165
16 6.1 61
17 12.8 128
18 32.9 329
26 7.9 79
27 41.3 413
28 60.4 604
29 5.7 57
30 2.4 24
31 3 30
32 12.8 128
37 9.8 98
38 21.4 214
39 81.7 817
40 6.7 67
41 9.2 92
42 2.4 24
43 3.7 37
44 4.9 49
45 2.4 24
49 3.7 37
50 20.4 204
51 36.6 366
52 23.8 238
53 19.5 195
54 2.4 24
55 3 30
61 4.3 43
62 8.5 85
63 18.9 189
64 6.7 67
65 26.2 262
66 6.7 67
67 2.4 24
73 2.4 24
74 4.3 43
75 3.7 37
76 3.7 37
77 70.7 707
78 21.4 214
79 55 550
80 6.7 67
81 2.4 24
89 5.5 55
90 4.3 43
91 58.5 585
92 30.3 303
93 9.8 98
94 1.8 18
105 2.4 24
106 2.4 24
107 25 250
108 8.5 85
121 15.2 152
122 99.99 999
123 9.2 92
//