MassBank Record: JP009079



 ACETALDEHYDE BUTYL PENTYL ACETAL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009079
RECORD_TITLE: ACETALDEHYDE BUTYL PENTYL ACETAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //