MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002094
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002094
RECORD_TITLE: 1,2-BENZENEDICARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-BENZENEDICARBALDEHYDE
CH$NAME: ORTHO-PHTHALALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6O2
CH$EXACT_MASS: 134.03678
CH$SMILES: O=Cc(c1)c(C=O)ccc1
CH$IUPAC: InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
CH$LINK: INCHIKEY
ZWLUXSQADUDCSB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6032514
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0pdi-9500000000-95efe464dfb075a64362
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
26 1.81 18
27 5.93 59
29 10.42 104
37 5.12 51
38 5.93 59
39 9.99 100
49 3.87 39
50 29.96 300
51 49.44 494
52 11.3 113
53 4.68 47
61 3.12 31
62 3.87 39
63 4.49 45
73 2.5 25
74 11.3 113
75 6.24 62
76 10.11 101
77 84.52 845
78 17.67 177
104 3.25 33
105 99.99 999
106 30.15 302
120 4.99 50
133 7.62 76
134 35.58 356
135 3.12 31
//
system version 2.2.8-SNAPSHOT