MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002921
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002921
RECORD_TITLE: BIS-(2-CYANOETHYL)-AMINE; 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$NAME: BIS-(2-CYANOETHYL)-AMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9N3
CH$EXACT_MASS: 123.07965
CH$SMILES: N#CCCNCCC#N
CH$IUPAC: InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
CH$LINK: COMPTOX
DTXSID2041464
CH$LINK: INCHIKEY
SBAJRGRUGUQKAF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8149
AC$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$SPLASH: splash10-000x-9000000000-597d5e9fc342b9b72121
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 3.39 34
26 4.62 46
27 10.26 103
28 30.58 306
29 5.27 53
30 2.08 21
39 2.08 21
40 6.1 61
41 7.56 76
42 99.99 999
43 12.7 127
52 6.09 61
54 52.34 523
55 4.2 42
56 5.89 59
81 5.81 58
82 85.92 859
84 5.21 52
//