MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007437
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007437
RECORD_TITLE: 1,6-HEXANEDIAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,6-HEXANEDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H16N2
CH$EXACT_MASS: 116.13135
CH$SMILES: NCCCCCCN
CH$IUPAC: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
CH$LINK: CAS
124-09-4
CH$LINK: INCHIKEY
NAQMVNRVTILPCV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5024922
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014i-1900000000-81aad6b83772d1699a44
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
68 0.5 5
70 1.57 16
73 0.8 8
74 0.99 10
83 0.66 7
86 1.64 16
87 5.24 52
98 4.92 49
99 4.65 47
100 31.02 310
101 2.34 23
116 0.56 6
117 99.99 999
118 7.8 78
138 0.97 10
140 1.07 11
142 0.86 9
157 1.2 12
159 3.08 31
173 2.46 25
//