MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008709
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008709
RECORD_TITLE: O-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$NAME: O-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=Cc(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
CH$LINK: INCHIKEY
PKZJLOCLABXVMC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1051690
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$SPLASH: splash10-002r-9500000000-ab1452f1184986cd6973
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 4.7 47
26 1.3 13
27 3.49 35
28 2.91 29
29 10.26 103
31 3.03 30
37 4.29 43
38 11.43 114
39 36.15 362
49 1.77 18
50 23.93 239
51 28.99 290
52 3.95 40
53 6.47 65
61 3.46 35
62 7.32 73
63 27.23 272
64 14.83 148
65 34.04 340
66 3.18 32
73 1.82 18
74 8.45 85
75 5.45 55
76 39.03 390
77 69.5 695
78 32.13 321
79 20.87 209
80 1.59 16
89 1.64 16
90 15.49 155
91 14.72 147
92 28.73 287
93 8.36 84
94 8.18 82
104 22.37 224
105 16.52 165
106 1.23 12
107 11.24 112
108 1.59 16
118 22.41 224
119 26.39 264
120 5.43 54
121 14.73 147
122 1.23 12
135 48.43 484
136 99.99 999
137 7.75 78
//
system version 2.2.6-SNAPSHOT