MassBank Record: JP009278



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

ACCESSION: JP009278
RECORD_TITLE: BENZALDEHYDE BUTYL ISOPENTYL 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$NAME: BENZALDEHYDE BUTYL ISOPENTYL ACETAL CH$NAME: BENZALDEHYDE BUTYL ISOAMYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H26O2 CH$EXACT_MASS: 250.19328 CH$SMILES: CCCCOC(OCCC(C)C)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H26O2/c1-4-5-12-17-16(18-13-11-14(2)3)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3 CH$LINK: INCHIKEY BRHOZUMENSVNBY-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$SPLASH: splash10-0a6r-4900000000-32744fc2397a89ff203c PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 27 8.3 83 28 1.5 15 29 18.4 184 31 0.1 1 39 5.3 53 41 22.5 225 42 2.2 22 43 3.64 36 44 1.5 15 51 3.7 37 53 1.1 11 55 0.72 7 56 1.8 18 57 11.2 112 70 1.2 12 71 3.01 30 72 1.4 14 77 13.6 136 78 3.1 31 79 2.12 21 80 1.2 12 89 1.2 12 90 1.6 16 91 0.33 3 105 15.6 156 106 4.4 44 107 99.99 999 108 0.92 9 163 54.4 544 164 7.8 78 177 35.9 359 178 5 50 //