MassBank Record: JP009179



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

ACCESSION: JP009179
RECORD_TITLE: VALERIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: VALERIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H10O2 CH$EXACT_MASS: 102.06808 CH$SMILES: CCCCC(O)=O CH$IUPAC: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B 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: splash10-03di-9000000000-2160417549a364f722df PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 15 1.78 18 18 1.98 20 26 3.19 32 27 25.05 251 28 8.4 84 29 21.5 215 31 2.07 21 38 1.08 11 39 12.87 129 40 1.34 13 41 21.36 214 42 10.1 101 43 9.63 96 45 13.84 138 53 1.08 11 55 7.75 78 56 4.02 40 57 2.09 21 60 99.99 999 61 3.08 31 73 35.27 353 74 2.23 22 87 1.46 15 //