MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002886
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002886
RECORD_TITLE: N-NONANONITRILE; 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$NAME: N-NONANONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17N
CH$EXACT_MASS: 139.13610
CH$SMILES: CCCCCCCCC#N
CH$IUPAC: InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
CH$LINK: COMPTOX
DTXSID6022183
CH$LINK: INCHIKEY
PLZZPPHAMDJOSR-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:16715
AC$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$SPLASH: splash10-000y-9000000000-52563c1458dfb8265833
PK$NUM_PEAK: 31
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
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
//