MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008456
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008456
RECORD_TITLE: ALPINAL 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$NAME: ALPINAL DIETHYL ACETAL
CH$NAME: 3,5,5-TRIMETHYLHEXANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O2
CH$EXACT_MASS: 216.20893
CH$SMILES: CCOC(OCC)CC(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C13H28O2/c1-7-14-12(15-8-2)9-11(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3
CH$LINK: INCHIKEY
SXOLJHFGARCGQT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40868949
AC$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: splash10-0fft-9100000000-2875a5beb7a9d298fd72
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 3 30
19 1.34 13
26 2.57 26
27 28.89 289
29 50.86 509
30 1.8 18
31 25.56 256
39 13.66 137
41 47.5 475
42 3.61 36
43 25.53 255
44 8.19 82
45 14.74 147
46 3.01 30
47 38.71 387
51 1.14 11
53 8 80
55 15.01 150
56 8.68 87
57 62.78 628
58 2.34 23
59 3.11 31
67 3.19 32
68 3.76 38
69 10.77 108
70 2.85 29
71 85.47 855
72 13 130
73 2.98 30
75 27.93 279
83 20.51 205
84 1.37 14
85 4.39 44
99 99.99 999
100 6.71 67
103 82.29 823
104 3.67 37
109 4.35 44
113 3.65 37
155 1.47 15
170 4.49 45
171 9.69 97
//