MassBank Record: JP004006



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

ACCESSION: JP004006
RECORD_TITLE: HEPTANENITRILE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANENITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H13N CH$EXACT_MASS: 111.10480 CH$SMILES: CCCCCCC#N CH$IUPAC: InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3 CH$LINK: INCHIKEY SDAXRHHPNYTELL-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6L 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: splash10-0036-9000000000-a580592337655b3baea6 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 14 1 10 15 6.9 69 18 1.5 15 26 0.96 10 27 62.2 622 28 20.3 203 29 37 370 30 0.2 2 37 1.1 11 38 4.3 43 39 35.3 353 40 1.82 18 41 99.99 999 42 14 140 43 50.3 503 44 0.22 2 45 1.5 15 50 2 20 51 3.1 31 52 0.3 3 53 5.3 53 54 43 430 55 37.1 371 56 0.6 6 57 10 100 66 1.4 14 67 2 20 68 1.46 15 69 9.1 91 70 1.5 15 71 5.2 52 81 0.63 6 82 68.4 684 83 51.1 511 84 3.2 32 96 0.92 9 110 4 40 //