MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009079
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009079
RECORD_TITLE: ACETALDEHYDE BUTYL PENTYL 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$NAME: ACETALDEHYDE BUTYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCCOC(C)OCCCC
CH$IUPAC: InChI=1S/C11H24O2/c1-4-6-8-10-13-11(3)12-9-7-5-2/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY
PRLOXHKVPIRLDE-UHFFFAOYSA-N
AC$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: splash10-0ki7-9200000000-ecde1a6960cabac8a0a8
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 1.8 18
26 1.39 14
27 22.87 229
29 43.84 438
30 1.3 13
31 7.67 77
39 12.28 123
40 1.11 11
41 50.59 506
42 18.37 184
43 77.24 772
44 5.26 53
45 99.99 999
46 2.17 22
53 1.87 19
55 15.15 152
56 9.38 94
57 86.28 863
58 5.38 54
59 1.15 12
61 2.88 29
69 1.91 19
70 4.4 44
71 88.86 889
72 5.97 60
83 2.07 21
85 2.31 23
97 1.91 19
99 1.39 14
101 85.53 855
102 5.92 59
103 7.38 74
115 53.87 539
116 3.95 40
117 1.69 17
173 19.12 191
174 1.73 17
//