MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008710
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008710
RECORD_TITLE: M-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$NAME: M-METHOXYBENZALDEHYDE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000i-9800000000-8c6402d697d352358d8e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
15 2.77 28
18 2.21 22
27 2.24 22
29 9.17 92
37 2.56 26
38 7.53 75
39 21.58 216
49 1.16 12
50 12.34 123
51 12.7 127
52 2.01 20
53 2.74 27
61 1.99 20
62 5.27 53
63 22.21 222
64 14.18 142
65 26.76 268
66 1.65 17
73 1.04 10
74 5.18 52
75 3.07 31
76 5.41 54
77 40.31 403
78 9.55 96
79 3.74 37
92 20.84 208
93 3.54 35
105 2.33 23
106 1.56 16
107 35.94 359
108 5.49 55
119 1.1 11
135 88.41 884
136 99.99 999
137 7.95 80
//