MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000206
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000206
RECORD_TITLE: META METHOXYTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: META METHOXYTOLUENE
CH$NAME: META METHYL ANISOLE
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 RMU-7M
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-9500000000-9ff66f6e4da1cb34af7b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.13 11
27 4.89 49
38 2.77 28
39 16.03 160
41 2.13 21
50 4.96 50
51 10.64 106
52 5.74 57
53 5.89 59
62 2.13 21
63 6.31 63
64 1.99 20
65 9.93 99
77 38.09 381
78 8.65 87
79 30.64 306
80 2.13 21
89 2.91 29
90 2.06 21
91 60.28 603
92 28.44 284
93 8.23 82
106 2.13 21
107 21.99 220
121 16.03 160
122 99.99 999
123 8.65 87
//