MassBank Record: JP004291



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

ACCESSION: JP004291
RECORD_TITLE: VALERIC  ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: VALERIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O2 CH$EXACT_MASS: 116.08373 CH$SMILES: CCCCC(=O)OC CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3 CH$LINK: CAS 624-24-8 CH$LINK: INCHIKEY HNBDRPTVWVGKBR-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-05g3-9000000000-6fe0175afcb595d513f3 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 11.17 112 27 12.57 126 28 3.91 39 29 26.63 266 31 3.54 35 39 6.7 67 40 1.77 18 41 25.42 254 42 5.77 58 43 39.76 398 44 4.66 47 45 2.7 27 55 13.04 130 56 6.7 67 57 36.59 366 58 1.96 20 59 21.04 210 73 1.68 17 74 99.99 999 75 4 40 85 36.31 363 86 2.61 26 87 28.86 289 88 2.79 28 101 1.96 20 //