MassBank Record: JP004991



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

ACCESSION: JP004991
RECORD_TITLE: BENZALDEHYDE DIETHYLACETAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: BENZALDEHYDE DIETHYLACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H16O2 CH$EXACT_MASS: 180.11503 CH$SMILES: CCOC(OCC)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 CH$LINK: CAS 774-48-1 CH$LINK: INCHIKEY MAQMEXSLUSZDQM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-052r-4900000000-d477bb54640bdf04db22 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 42 0.14 1 43 1.01 10 44 0.23 2 45 0.91 9 46 0.2 2 47 8.65 87 50 1.81 18 51 6.63 66 52 1.65 17 53 0.64 6 57 0.15 2 58 0.23 2 59 0.17 2 62 0.22 2 63 1.03 10 64 0.35 4 65 0.66 7 73 0.2 2 74 0.62 6 75 6.79 68 76 0.94 9 77 18.65 187 78 3.36 34 79 33.74 337 80 2.17 22 89 1.44 14 90 1.56 16 91 2.09 21 92 0.62 6 95 0.25 3 102 0.71 7 103 5.54 55 104 0.41 4 105 11.16 112 106 3.48 35 107 66.67 667 108 5.33 53 109 0.34 3 123 1.78 18 124 0.15 2 133 0.4 4 134 0.28 3 135 99.99 999 136 10.39 104 137 0.74 7 179 0.27 3 180 0.23 2 //