MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003611
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003611
RECORD_TITLE: N-METHYLCYCLOHEXYLAMINE; 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$NAME: N-METHYLCYCLOHEXYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H15N
CH$EXACT_MASS: 113.12045
CH$SMILES: CNC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
CH$LINK: INCHIKEY
XTUVJUMINZSXGF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3059216
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: splash10-00di-9100000000-f21ddcae35be5e16aa45
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
42 8 80
44 7 70
56 7.3 73
57 2 20
70 99.99 999
71 8 80
84 8 80
113 16.5 165
//
system version 2.2.8-SNAPSHOT