MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008708
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008708
RECORD_TITLE: 4-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXYBENZALDEHYDE
CH$NAME: ANISALDEHYDE
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-80B
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-8900000000-d51f38f91dea18a7ca2b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 3.39 34
27 1.9 19
29 6.22 62
37 2.47 25
38 6.62 66
39 16.43 164
50 9.44 94
51 10.6 106
52 1.46 15
53 2.04 20
61 1.71 17
62 4.09 41
63 13.55 136
64 11.79 118
65 12.63 126
66 1.57 16
74 4.31 43
75 2.63 26
76 3.6 36
77 34.65 347
78 4.25 43
79 2.31 23
92 21 210
93 3.01 30
105 1.12 11
107 9.68 97
108 1.52 15
135 99.99 999
136 73.7 737
137 5.4 54
//