MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008646
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008646
RECORD_TITLE: ACETALDEHYDE ETHYL 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$NAME: ACETALDEHYDE ETHYL ISOAMYL ACETAL
CH$NAME: ACETALDEHYDE ETHYL 3-METHYLBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20O2
CH$EXACT_MASS: 160.14633
CH$SMILES: CCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C9H20O2/c1-5-10-9(4)11-7-6-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY
RGNYZOOSNYMRQE-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$SPLASH: splash10-00dj-9000000000-c6b8b96d0fecd87e6509
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.49 25
26 1.22 12
27 16.37 164
29 17.64 176
31 8.27 83
39 6.54 65
41 17.34 173
42 4.48 45
43 59.17 592
44 8.81 88
45 78.01 780
46 1.81 18
47 3.38 34
53 1.15 12
55 12.23 122
56 1.1 11
57 1.37 14
61 1.44 14
69 1.01 10
70 3.47 35
71 53.05 531
72 3.94 39
73 99.99 999
74 3.27 33
75 3.7 37
115 10.12 101
145 10.18 102
//