MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007446
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007446
RECORD_TITLE: 1,3-DIMETHOXYBENZENE; CI-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$NAME: 1,3-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O2
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)cc(OC)cc1
CH$IUPAC: InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
CH$LINK: CAS
151-10-0
CH$LINK: INCHIKEY
DPZNOMCNRMUKPS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047060
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-000i-0900000000-93c51a44ca90c6ed32a5
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
95 0.56 6
109 0.76 8
138 19.94 199
139 99.99 999
140 9.34 93
141 0.89 9
179 4.77 48
180 0.56 6
181 2.94 29
//