MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007217
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007217
RECORD_TITLE: M-CRESYL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: M-CRESYL METHYL ETHER
CH$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$LINK: COMPTOX
DTXSID2051500
CH$LINK: INCHIKEY
OSIGJGFTADMDOB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7530
AC$INSTRUMENT: HITACHI M-80B
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: splash10-00fu-9400000000-3a418263d092b569868d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 7.22 72
26 1.11 11
27 7.38 74
29 2.06 21
37 1.26 13
38 5 50
39 22.04 220
40 1.47 15
41 1.94 19
50 8.09 81
51 16.66 167
52 9.83 98
53 9.01 90
61 1.55 16
62 4.03 40
63 9.69 97
64 2.6 26
65 11.01 110
66 1.23 12
74 1.39 14
75 1.12 11
76 1.09 11
77 43.02 430
78 13.21 132
79 32.92 329
80 1.9 19
89 3.74 37
90 2.05 21
91 47.1 471
92 21.18 212
93 5.71 57
107 17.36 174
108 1.35 14
121 11.87 119
122 99.99 999
123 8.89 89
//