MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004004
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004004
RECORD_TITLE: HEXANENITRILE; 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$NAME: HEXANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11N
CH$EXACT_MASS: 97.08915
CH$SMILES: CCCCCC#N
CH$IUPAC: InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
CH$LINK: COMPTOX
DTXSID0060858
CH$LINK: INCHIKEY
AILKHAQXUAOOFU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:12352
AC$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: splash10-0f96-9000000000-74b8ebaadeab3b89b6fc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
13 1.8 18
14 3.1 31
15 11 110
26 1.1 11
27 59.1 591
28 21.3 213
29 43.8 438
30 0.15 2
37 3.5 35
38 5.3 53
39 34 340
40 0.9 9
41 99.99 999
42 12.9 129
43 28.9 289
44 0.2 2
50 2 20
51 3.5 35
52 3.8 38
53 0.5 5
54 68.9 689
55 54 540
56 4.2 42
57 2.9 29
58 1.5 15
64 1.2 12
66 1.5 15
67 0.2 2
68 24.1 241
69 18.5 185
70 2.9 29
71 0.16 2
82 20.1 201
83 1.5 15
96 9.6 96
//