MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000534
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000534
RECORD_TITLE: 4-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXYBENZALDEHYDE
CH$NAME: AN1SALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
CH$LINK: INCHIKEY
ZRSNZINYAWTAHE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026997
AC$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: splash10-000i-5900000000-f3f464cd23c97578f30c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
39 12.31 123
51 3.8 38
64 9.12 91
65 17.66 177
77 48.22 482
78 8.21 82
92 28.11 281
93 1.18 12
107 18.32 183
118 1.08 11
134 4.12 41
135 99.99 999
136 80.36 804
137 8.98 90
//