MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001650
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001650
RECORD_TITLE: PARA-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$NAME: PARA-METHOXYTOLUENE
CH$NAME: PARA-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CH$LINK: INCHIKEY
CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026710
AC$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: splash10-00di-7900000000-7f556bdac6b787d60bd9
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 1.72 17
27 5.26 53
28 1.29 13
38 1.72 17
39 9.6 96
41 1.61 16
50 4.83 48
51 10.41 104
52 5.79 58
53 5.36 54
61 1.39 14
62 1.77 18
63 4.77 48
64 1.5 15
65 6.71 67
75 1.13 11
77 32.73 327
78 7.99 80
79 23.23 232
80 1.61 16
89 2.47 25
90 2.04 20
91 23.07 231
92 8.05 81
93 1.56 16
107 33.26 333
108 3 30
121 50.05 501
122 99.99 999
123 8.48 85
//
system version 2.2.6-SNAPSHOT