MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009279
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009279
RECORD_TITLE: ACETALDEHYDE BUTYL ISOPENTYL 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$NAME: ACETALDEHYDE BUTYL ISOPENTYL ACETAL
CH$NAME: ACETALDEHYDE BUTYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-5-6-8-12-11(4)13-9-7-10(2)3/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY
OOTKYVQGUQRYPB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00699731
AC$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: splash10-0kfx-9200000000-42385d3bca2dc26cd803
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 3.2 32
26 2.5 25
27 28 280
29 3.56 36
30 1.1 11
31 16.1 161
39 16.6 166
41 5.98 60
42 15 150
43 92.9 929
44 10.4 104
45 6.57 66
46 1.8 18
53 2.6 26
54 1 10
55 2.71 27
56 20.7 207
57 59.3 593
58 3.6 36
59 0.11 1
61 1.3 13
69 2.1 21
70 12.4 124
71 99.99 999
72 6.4 64
83 1.9 19
85 3 30
99 0.17 2
100 1.5 15
101 64 640
102 3.4 34
103 0.19 2
115 38.4 384
116 2.5 25
117 1.1 11
173 1.47 15
174 1.6 16
//