MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002566
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002566
RECORD_TITLE: DI-ISOBUTYLAMINE; EI-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$NAME: DI-ISOBUTYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H19N
CH$EXACT_MASS: 129.15175
CH$SMILES: CC(C)CNCC(C)C
CH$IUPAC: InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
CH$LINK: INCHIKEY
NJBCRXCAPCODGX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025079
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0019-9000000000-255f3e82a264d316b340
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 1.02 10
27 5.43 54
28 4.18 42
29 12.75 128
30 68.6 686
31 1.01 10
39 4.77 48
41 14.7 147
42 4.61 46
43 4.78 48
44 2.97 30
55 4 40
56 1.76 18
57 27.12 271
58 5.03 50
70 2.08 21
72 3.01 30
84 1.11 11
86 99.99 999
87 6.09 61
114 1.72 17
128 1.12 11
129 6.96 70
//
system version 2.2.6-SNAPSHOT