MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002883
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002883
RECORD_TITLE: 1,12-DIAMINO-DODECANE; 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$NAME: 1,12-DIAMINO-DODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H28N2
CH$EXACT_MASS: 200.22525
CH$SMILES: NCCCCCCCCCCCCN
CH$IUPAC: InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
CH$LINK: INCHIKEY
QFTYSVGGYOXFRQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044636
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: splash10-001i-9100000000-a4c2aa8b60d7479a5421
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
18 15.8 158
27 2.52 25
29 4.4 44
30 99.99 999
41 9.83 98
42 3.02 30
43 6.03 60
44 25.45 255
45 6.61 66
55 8.61 86
56 9.17 92
57 2.82 28
59 3.58 36
69 5.43 54
70 4.18 42
72 4.71 47
73 3.04 30
83 3.12 31
84 2.4 24
86 5.45 55
87 2.3 23
97 2.31 23
100 4.39 44
102 4.29 43
114 2.53 25
128 3.86 39
142 4.44 44
156 5.38 54
171 8.04 80
184 5.79 58
//
system version 2.2.6-SNAPSHOT