MassBank Record: JP006141



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

ACCESSION: JP006141
RECORD_TITLE: HEPTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL DECANOATE CH$NAME: HEPTYL CAPRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H34O2 CH$EXACT_MASS: 270.25588 CH$SMILES: CCCCCCCCCC(=O)OCCCCCCC CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3 CH$LINK: INCHIKEY MPLLSYWBBPPERF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aba-9100000000-d79f5afc666152cb16fc PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 29 4.03 40 41 8.15 82 42 7.25 73 43 41.69 417 44 1.33 13 54 3.52 35 55 18.04 180 56 69.96 700 57 99.99 999 58 4.27 43 60 14.6 146 61 75.07 751 62 1.76 18 67 1.78 18 68 12.01 120 69 33.11 331 70 68.91 689 71 20.22 202 72 1.18 12 73 18.98 190 74 2.27 23 81 2.89 29 82 1.62 16 83 10.57 106 84 5.1 51 85 6.41 64 87 5.55 56 89 2.57 26 95 2.56 26 96 1.09 11 97 3.67 37 98 88.84 888 99 7.42 74 101 2.13 21 103 1.73 17 110 1.23 12 111 1.35 14 112 1.56 16 115 2.88 29 116 1.72 17 129 7.67 77 143 2.58 26 155 12.66 127 156 1.48 15 172 5.26 53 173 35.52 355 174 3.8 38 270 0.52 5 //