MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001144
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001144
RECORD_TITLE: META-CRESOL DEUTEROMETHYL 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$NAME: META-CRESOL DEUTEROMETHYL ETHER
CH$NAME: (2H3)METHYL META-TOLYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: [2H]C([2H])([2H])Oc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3/i2D3
CH$LINK: INCHIKEY
OSIGJGFTADMDOB-BMSJAHLVSA-N
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$SPLASH: splash10-004i-9200000000-619dbf910b1052c8b0b3
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
15 4.2 42
16 13.2 132
17 15.4 154
26 4.8 48
27 16.4 164
28 9 90
29 9.5 95
30 5.8 58
31 3.2 32
32 3.7 37
37 7.4 74
38 16.9 169
39 46.6 466
40 6.9 69
41 18.5 185
42 5.3 53
43 10.6 106
44 3.2 32
45 3.2 32
46 3.2 32
47 3.2 32
48 3.2 32
49 5.3 53
50 30.2 302
51 46.6 466
52 29.1 291
53 23.8 238
54 4.8 48
55 11.6 116
56 4.8 48
57 6.9 69
58 3.7 37
59 2.6 26
60 2.6 26
61 7.9 79
62 15.9 159
63 31.4 314
64 12.2 122
65 23.8 238
66 9 90
67 7.4 74
68 4.2 42
69 8.5 85
70 3.7 37
71 4.8 48
73 4.2 42
74 9.5 95
75 6.9 69
76 6.9 69
77 99.99 999
78 44.5 445
79 71.5 715
80 13.2 132
81 10 100
82 6.9 69
83 6.4 64
84 2.6 26
85 4.2 42
86 4.7 47
87 4.2 42
89 10.6 106
90 10.6 106
91 43.9 439
92 44.4 444
93 25.4 254
94 7.9 79
95 8.5 85
96 4.8 48
97 4.8 48
98 2.6 26
105 6.4 64
106 26 260
107 40.8 408
108 28.6 286
109 8.5 85
110 3.7 37
111 3.2 32
115 4.2 42
121 6.4 64
122 12.7 127
123 23.8 238
124 46.6 466
125 47.6 476
126 5.8 58
127 3.2 32
//