MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004049
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004049
RECORD_TITLE: META-METHOXYBENZALDEHYDE; EI-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$NAME: META-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)cc(OC)cc1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
CH$LINK: INCHIKEY
WMPDAIZRQDCGFH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5044447
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-000i-2900000000-9f5cfeb0078b71478646
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
39 12.1 121
63 12.3 123
65 18.5 185
77 3.44 34
92 16.9 169
107 37.1 371
135 95.1 951
136 99.99 999
//