MassBank Record: JP003171



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

ACCESSION: JP003171
RECORD_TITLE: HEXETHAL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXETHAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20N2O3 CH$EXACT_MASS: 240.14739 CH$SMILES: CCCCCCC(CC)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C12H20N2O3/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16/h3-8H2,1-2H3,(H2,13,14,15,16,17)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-0090000000-2f097df2bd1553b92623 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 156 1 10 215 2 20 233 3 30 241 99.99 999 242 14 140 243 2 20 //