MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004688
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004688
RECORD_TITLE: OCTYLAMINE; 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$NAME: OCTYLAMINE
CH$NAME: 1-OCTANAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H19N
CH$EXACT_MASS: 129.15175
CH$SMILES: CCCCCCCCN
CH$IUPAC: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
CH$LINK: CAS
111-86-4
CH$LINK: INCHIKEY
IOQPZZOEVPZRBK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021939
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9100000000-c0c97bb23194955f2ecf
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
41 96.06 961
42 32.8 328
43 50.43 504
44 99.99 999
45 73.17 732
53 6.48 65
54 5.56 56
55 46.44 464
56 38.11 381
57 11.85 119
58 4.39 44
59 19 190
67 4.64 46
68 4.75 48
69 32.95 330
70 18.9 189
71 3.47 35
72 17.42 174
73 6.94 69
82 3.78 38
83 12.77 128
84 10.98 110
86 44.71 447
87 5.31 53
100 21.25 213
112 4.7 47
114 3.67 37
128 9.29 93
129 35.25 353
130 5.21 52
//