MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008667
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008667
RECORD_TITLE: ACETALDEHYDE BENZYL ISOAMYL 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$NAME: ACETALDEHYDE BENZYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O2
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(C)CCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H22O2/c1-12(2)9-10-15-13(3)16-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
CH$LINK: INCHIKEY
UROVAOQFAZWTNI-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-7ccd91e6ad7a48d02362
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 1.58 16
27 7.77 78
29 6.24 62
31 2.51 25
39 7.36 74
41 13.33 133
42 4.48 45
43 44.07 441
44 3.58 36
45 3.2 32
50 2.25 23
51 4.94 49
52 1.18 12
53 1.33 13
55 8.43 84
57 1.86 19
63 1.84 18
65 7.35 74
69 1.29 13
70 7.04 70
71 29.19 292
72 1.53 15
77 7.98 80
78 2.15 22
79 8.05 81
89 2.13 21
90 2.41 24
91 99.99 999
92 18.99 190
93 1.04 10
105 4 40
106 2.34 23
107 5.63 56
108 6.85 69
115 2.38 24
133 1.99 20
134 18.4 184
135 5.02 50
//