MassBank Record: JP002902



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

ACCESSION: JP002902
RECORD_TITLE: BETA-CYANOETHANOL; 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$NAME: BETA-CYANOETHANOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H5NO CH$EXACT_MASS: 71.03711 CH$SMILES: N#CCCO CH$IUPAC: InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2
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: splash10-001l-9000000000-bf7c9900fcda700e76f2 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 14 3.55 36 15 14.87 149 17 2.12 21 18 7.63 76 26 3.86 39 27 4.25 43 28 4.55 46 29 14.49 145 31 99.99 999 39 2.52 25 40 6.31 63 41 68.95 690 42 8 80 43 2.86 29 45 2.74 27 51 2.25 23 52 2.69 27 //