MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004048
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004048
RECORD_TITLE: ORTHO-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ORTHO-METHOXYBENZALDEHYDE
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-002r-9800000000-dd6b039b2c5380ea27a9
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
15 2.3 23
18 2 20
26 1.6 16
27 0.34 3
28 2.9 29
29 3 30
31 2.1 21
37 0.2 2
38 7.3 73
39 20.4 204
40 1.9 19
49 0.16 2
50 9 90
51 17.9 179
52 3.4 34
53 0.52 5
56 2.2 22
61 2.5 25
62 3.5 35
63 1.41 14
64 11.6 116
65 22 220
74 4.5 45
75 0.35 4
76 29.1 291
77 57 570
78 21.7 217
79 1.73 17
80 2.2 22
81 5.1 51
89 2.7 27
90 1.44 14
91 14 140
92 21.2 212
93 7.3 73
94 0.85 9
104 22 220
105 17.3 173
106 1.8 18
107 1.13 11
108 2 20
109 10 100
118 24.5 245
119 2.72 27
120 7 70
121 14.9 149
122 3.5 35
124 0.8 8
135 52.5 525
136 99.99 999
137 10 100
138 3.1 31
//