MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008669
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008669
RECORD_TITLE: BENZALDEHYDE DIETHYL ACETAL; 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$NAME: BENZALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: CCOC(OCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
CH$LINK: INCHIKEY
MAQMEXSLUSZDQM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061127
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$SPLASH: splash10-0550-6900000000-dfa47991c27d1a7e71c0
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 8.33 83
29 14.25 143
39 1.83 18
43 1.77 18
47 8.56 86
50 3.29 33
51 10.68 107
52 2.68 27
63 1.35 14
75 5.93 59
76 1.1 11
77 30.84 308
78 5.6 56
79 44.65 447
80 2.95 30
89 1.82 18
90 1.52 15
91 2.06 21
103 4.84 48
105 17.9 179
106 2.98 30
107 63 630
108 4.81 48
123 1.36 14
135 99.99 999
136 10.29 103
//
system version 2.2.4-SNAPSHOT