MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009420
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009420
RECORD_TITLE: ORTHO-VANILLIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-VANILLIN
CH$NAME: 2-HYDROXY-3-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)c(O)c(OC)cc1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
CH$LINK: INCHIKEY
JJVNINGBHGBWJH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5022011
AC$INSTRUMENT: HITACHI M-80A
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: splash10-0pb9-8900000000-bbe3aaed58f67e9ab3be
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
15 20.19 202
26 2.25 23
27 5.61 56
29 21.5 215
30 2.09 21
31 1.73 17
32 2.99 30
37 1.99 20
38 4.28 43
39 11.16 112
40 1.2 12
41 1.56 16
49 1.78 18
50 11.13 111
51 17.27 173
52 15.65 157
53 19.21 192
54 2.4 24
55 14.68 147
61 3.24 32
62 6.5 65
63 15.81 158
64 7.21 72
65 19.18 192
66 6.64 66
67 4.41 44
69 1.09 11
73 1.05 11
74 4.15 42
75 3.85 39
76 19.69 197
77 17.81 178
78 13.06 131
79 11.17 112
80 9.66 97
81 49.88 499
82 3.31 33
85 1.13 11
91 2.57 26
92 11.05 111
93 12.82 128
94 4.29 43
95 7.42 74
104 4.15 42
105 16.77 168
106 72.13 721
107 12.64 126
108 16.33 163
109 52.18 522
110 4.76 48
115 1.31 13
119 1.56 16
120 7.68 77
121 36.35 364
122 22.11 221
123 8.91 89
124 3.61 36
133 2.93 29
134 3.27 33
135 1.24 12
136 6.41 64
137 5.79 58
151 19.73 197
152 99.99 999
153 10.23 102
154 1.26 13
//