MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009106
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009106
RECORD_TITLE: ACETALDEHYDE BENZYL ETHYL 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$NAME: ACETALDEHYDE BENZYL ETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: CCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-10(2)13-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
CH$LINK: INCHIKEY
QZLCHWYDADOBGM-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-1f7ed55933e9332506e1
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 1.71 17
29 7.32 73
31 2.36 24
39 4.48 45
41 1.37 14
43 9.45 95
44 6.15 62
45 40.33 403
46 1.08 11
50 2.01 20
51 4.54 45
52 1.47 15
63 2.45 25
65 11.82 118
72 2.6 26
73 26.46 265
74 1.18 12
77 8.4 84
78 1.76 18
79 5.2 52
89 3.95 40
90 3.71 37
91 99.99 999
92 17.62 176
105 3.21 32
106 1.82 18
107 3.63 36
108 3.61 36
133 2.16 22
134 22.84 228
135 4 40
//