MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008317
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008317
RECORD_TITLE: N-NONYL CYANIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: N-NONYL CYANIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H19N
CH$EXACT_MASS: 153.15175
CH$SMILES: CCCCCCCCCC#N
CH$IUPAC: InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
CH$LINK: COMPTOX
DTXSID9027449
CH$LINK: INCHIKEY
HBZDPWBWBJMYRY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:74791
AC$INSTRUMENT: HITACHI M-60
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: splash10-000y-9000000000-e84c6f9d6b16cb7c971d
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 34.76 348
28 6.85 69
29 50.48 505
39 21.71 217
41 99.99 999
42 32.91 329
43 69.07 691
53 2.98 30
54 59.77 598
55 28.51 285
56 13.55 136
57 55.59 556
67 10.51 105
68 13.68 137
69 58.82 588
70 15.64 156
71 11.48 115
79 0.77 8
80 1.09 11
81 5.8 58
82 73.77 738
83 70.29 703
84 10.91 109
93 6.34 63
95 3.44 34
96 78.32 783
97 53.78 538
98 6.21 62
109 5.17 52
110 44.58 446
111 20.16 202
124 10.99 110
138 3.49 35
//