MassBank Record: JP009183



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

ACCESSION: JP009183
RECORD_TITLE: CIS-3-HEXENOIC 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$NAME: CIS-3-HEXENOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O2 CH$EXACT_MASS: 114.06808 CH$SMILES: CCC=CCC(O)=O CH$IUPAC: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3- CH$LINK: INCHIKEY XXHDAWYDNSXJQM-ARJAWSKDSA-N
AC$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: splash10-07dx-9000000000-1796c6f6412740199482 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 15 2.96 30 17 1.06 11 26 4.17 42 27 39.51 395 28 3.27 33 29 25.17 252 31 2.64 26 37 2.19 22 38 5.19 52 39 51.92 519 40 7.65 77 41 99.99 999 42 21.45 215 43 15.57 156 44 1.83 18 45 23.1 231 50 3.56 36 51 5.56 56 52 2.61 26 53 19.24 192 54 9.41 94 55 80.67 807 56 4.11 41 57 17.84 178 58 2.61 26 59 1.8 18 60 46.24 462 61 1.85 19 62 1.42 14 63 1.63 16 65 2.36 24 66 1.52 15 67 9.78 98 68 48.92 489 69 31.2 312 70 2.6 26 71 5.52 55 72 2.57 26 73 16.42 164 81 3.95 40 85 1.09 11 86 1.28 13 87 1.06 11 95 1.19 12 96 5 50 97 2.01 20 99 6.47 65 100 1.08 11 114 32.65 327 115 2.37 24 //