MassBank Record: JP009190



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

ACCESSION: JP009190
RECORD_TITLE: HEPTANOIC 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$NAME: HEPTANOIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O2 CH$EXACT_MASS: 130.09938 CH$SMILES: CCCCCCC(O)=O CH$IUPAC: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N
AC$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: splash10-03kc-9000000000-ebeb37b8d3c0ca55826d PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 15 1.42 14 26 1.79 18 27 19.55 196 28 2.93 29 29 16.31 163 31 2.15 22 39 9.77 98 40 2.05 21 41 30.56 306 42 6.67 67 43 26.4 264 45 10.51 105 53 1.95 20 54 1.05 11 55 17.05 171 56 3.53 35 57 2.55 26 59 3.28 33 60 99.99 999 61 9.58 96 68 1.9 19 69 3.89 39 70 12.84 128 71 11.21 112 73 48.16 482 74 4.89 49 83 2.57 26 84 3.19 32 87 19.87 199 88 1.45 15 101 5.22 52 //