MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008085
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008085
RECORD_TITLE: PARA-METHOXYTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PARA-METHOXYTOLUENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3900000000-535daa03648438d6866f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
39 1.29 13
53 2.26 23
65 2.58 26
77 17.45 175
78 4.2 42
79 19.71 197
80 1.62 16
90 1.13 11
91 14.38 144
92 6.95 70
93 1.29 13
107 24.39 244
108 2.1 21
120 1.13 11
121 30.21 302
122 99.99 999
123 9.21 92
//
system version 2.2.6-SNAPSHOT