MassBank Record: JP004987



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

ACCESSION: JP004987
RECORD_TITLE: P-CYANOBENZALDEHYDE DIMETHYLACETAL; 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$NAME: P-CYANOBENZALDEHYDE DIMETHYLACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO2 CH$EXACT_MASS: 177.07898 CH$SMILES: N#Cc(c1)ccc(c1)C(OC)OC CH$IUPAC: InChI=1S/C10H11NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,1-2H3 CH$LINK: INCHIKEY KAIKLOZUJNGBNP-UHFFFAOYSA-N
AC$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: splash10-0002-1900000000-ad0fe4754b872ecf4203 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 47 0.95 10 50 1.47 15 51 1.93 19 59 1.74 17 74 1.36 14 75 7.86 79 76 2.89 29 77 1.06 11 89 1 10 91 3.65 37 102 8.93 89 103 1.69 17 116 6.32 63 117 1.81 18 118 2.14 21 130 8.33 83 131 1.79 18 146 99.99 999 147 10.81 108 176 1.26 13 177 0.98 10 //