MassBank Record: JP002957



 3,3,3-TRIMETHOXY PROPIONITRILE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002957
RECORD_TITLE: 3,3,3-TRIMETHOXY PROPIONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3,3,3-TRIMETHOXY PROPIONITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO3 CH$EXACT_MASS: 145.07389 CH$SMILES: N#CCC(OC)(OC)OC CH$IUPAC: InChI=1S/C6H11NO3/c1-8-6(9-2,10-3)4-5-7/h4H2,1-3H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0900-9400000000-681b3d33d16f38e31266 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 40.63 406 27 3.97 40 28 3.92 39 29 11.14 111 31 4.24 42 39 2.62 26 40 11.53 115 41 2.15 22 42 13.22 132 43 5.5 55 45 8.43 84 47 9.23 92 54 4.61 46 55 20.38 204 57 4.23 42 59 25.8 258 61 2.98 30 68 14.12 141 70 5.26 53 72 46.89 469 75 4.38 44 82 7.9 79 105 21.28 213 114 99.99 999 115 5.62 56 //