MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011428
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011428
RECORD_TITLE: 1,3,5-TRIMETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 1,3,5-TRIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O3
CH$EXACT_MASS: 168.07864
CH$SMILES: COc(c1)cc(OC)cc(OC)1
CH$IUPAC: InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
CH$LINK: INCHIKEY
LKUDPHPHKOZXCD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0045963
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014i-0900000000-1ec4b60c1463858d3e54
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
65 1.28 13
69 1.23 12
77 1.06 11
78 4.04 40
79 2.38 24
93 1.53 15
95 3.95 40
107 1.88 19
108 4.48 45
109 8.47 85
110 2.16 22
122 1.13 11
124 3.08 31
125 7.39 74
137 2.28 23
138 5.66 57
139 46.03 460
140 4.14 41
167 9.51 95
168 99.99 999
169 10.83 108
170 1.1 11
//