MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009101
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009101
RECORD_TITLE: ACETALDEHYDE DIBENZYL 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$NAME: ACETALDEHYDE DIBENZYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H18O2
CH$EXACT_MASS: 242.13068
CH$SMILES: CC(OCc(c2)cccc2)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H18O2/c1-14(17-12-15-8-4-2-5-9-15)18-13-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
CH$LINK: INCHIKEY
RFRXYOZZAPXFFD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5066908
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$SPLASH: splash10-0006-9100000000-ef95786515ce4e679aab
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
39 4.62 46
41 1.08 11
43 1.56 16
51 5.04 50
52 1.1 11
63 1.71 17
65 11.26 113
77 7.24 72
78 1.59 16
79 6.44 64
89 2.22 22
90 2.93 29
91 99.99 999
92 48.22 482
93 2.61 26
105 2.02 20
107 13.52 135
108 2.23 22
133 1.82 18
134 4.7 47
151 1.49 15
//