MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006691
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006691
RECORD_TITLE: 3,4,5-TRIHYDROXYBENZYL METHYL ETHER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,5-TRIHYDROXYBENZYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O4
CH$EXACT_MASS: 170.05791
CH$SMILES: COCc(c1)cc(O)c(O)c(O)1
CH$IUPAC: InChI=1S/C8H10O4/c1-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,9-11H,4H2,1H3
CH$LINK: INCHIKEY
YAXUEWSAEFZPFJ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA
PK$SPLASH: splash10-00dr-0900000000-c9e024a5e3be38ba5562
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
153 34.6 346
154 2.5 25
170 99.99 999
171 3.24 32
187 14.5 145
188 61.7 617
189 6.6 66
//