MassBank Record: JP002887



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

ACCESSION: JP002887
RECORD_TITLE: N-UNDECANONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-UNDECANONITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H21N CH$EXACT_MASS: 167.16740 CH$SMILES: CCCCCCCCCCC#N CH$IUPAC: InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0537-9100000000-012efb7782c4a973858d PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 27 35.38 354 28 10.33 103 29 51.95 520 30 6.38 64 39 23.28 233 40 6.78 68 41 99.99 999 42 27.31 273 43 89.59 896 44 8.64 86 51 2.38 24 52 2.5 25 53 7.95 80 54 48.4 484 55 61.39 614 56 26.04 260 57 62.89 629 58 4.78 48 65 2.45 25 66 3.09 31 67 7.07 71 68 13.04 130 69 51.9 519 70 32.52 325 71 15.82 158 79 6.91 69 80 2.73 27 81 8.65 87 82 61.19 612 83 54.93 549 84 10.39 104 85 7.95 80 93 4.36 44 95 6.46 65 96 73.49 735 97 92.06 921 98 11.24 112 107 3.43 34 109 2.18 22 110 62.17 622 111 33.13 331 112 5.23 52 122 2.06 21 124 48.77 488 125 9.39 94 126 2.07 21 138 23.48 235 139 4.45 45 152 4.4 44 166 3.64 36 //