MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004050
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004050
RECORD_TITLE: PARA-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$NAME: PARA-METHOXYBENZALDEHYDE
CH$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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-000i-9600000000-005ef37f7e37a0e55681
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 2.1 21
27 3.5 35
28 12.8 128
29 1.66 17
30 1.2 12
31 1.1 11
32 2.2 22
37 0.45 5
38 10.5 105
39 18.1 181
49 1.2 12
50 1.3 13
51 12.2 122
52 1.9 19
53 2.8 28
62 0.6 6
63 15.1 151
64 11.9 119
66 2.3 23
73 0.12 1
74 5.2 52
75 3 30
76 42.5 425
77 3.15 32
78 3.4 34
79 2 20
84 1.9 19
92 1.86 19
93 3.6 36
105 1.5 15
107 11.3 113
108 0.25 3
109 2 20
124 1.8 18
135 99.99 999
136 6.92 69
137 5 50
//
system version 2.2.6-SNAPSHOT