MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008458
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008458
RECORD_TITLE: ACETALDEHYDE DIPROPYL 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$NAME: ACETALDEHYDE DIPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O2
CH$EXACT_MASS: 146.13068
CH$SMILES: CCCOC(C)OCCC
CH$IUPAC: InChI=1S/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
MISTZQJSHHTDCF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059325
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$SPLASH: splash10-000e-9000000000-8d3189828acb73877576
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 1.87 19
26 1.41 14
27 17.85 179
29 8.4 84
31 7.92 79
39 6.61 66
41 19.01 190
42 4.95 50
43 65.74 657
44 4.78 48
45 99.99 999
46 1.95 20
47 3.05 31
57 1.09 11
58 5.11 51
59 1.63 16
61 3.09 31
87 68.27 683
88 4.14 41
89 7.04 70
131 14.24 142
//