MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003609
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003609
RECORD_TITLE: 1,2-DIAMINOCYCLOHEXANE; 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$NAME: 1,2-DIAMINOCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2
CH$EXACT_MASS: 114.11570
CH$SMILES: NC(C1)C(N)CCC1
CH$IUPAC: InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
CH$LINK: COMPTOX
DTXSID0027301
CH$LINK: INCHIKEY
SSJXIUAHEKJCMH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:4610
AC$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$SPLASH: splash10-0aov-9000000000-ad23bf6a784ae5bc7419
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
28 39 390
30 43 430
43 69.5 695
56 99.99 999
69 51 510
70 30.5 305
97 51.7 517
114 21.8 218
//
system version 2.2.8-SNAPSHOT