MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009280
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009280
RECORD_TITLE: ACETALDEHYDE ISOPENTYL PROPYL 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$NAME: ACETALDEHYDE ISOPENTYL PROPYL ACETAL
CH$NAME: ACETALDEHYDE ISOAMYL PROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22O2
CH$EXACT_MASS: 174.16198
CH$SMILES: CCCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY
VPJHYSGCDYPNSB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90699765
AC$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: splash10-0076-9000000000-92c42b85d686b6dd1c5c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 2.5 25
26 1.9 19
27 24.1 241
29 1.36 14
30 1 10
31 17.3 173
39 12.5 125
41 3.52 35
42 13.4 134
43 99.99 999
44 11.3 113
45 7.31 73
46 1.8 18
53 1.6 16
55 18.9 189
56 0.19 2
57 2.9 29
58 1.6 16
59 1.8 18
61 0.15 2
69 2.2 22
70 9.5 95
71 73.1 731
72 0.5 5
86 1.7 17
87 67.1 671
88 4 40
89 0.27 3
99 1.4 14
115 22.5 225
116 1.7 17
159 1.4 14
160 1.3 13
//
system version 2.2.6-SNAPSHOT