MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006879
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006879
RECORD_TITLE: TRIDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28
CH$EXACT_MASS: 184.21910
CH$SMILES: CCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY
IIYFAKIEWZDVMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027266
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-4ac0138633416b7e1a3c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 14.66 147
28 3.91 39
29 30.24 302
32 1.81 18
39 7.97 80
41 47.19 472
42 11.74 117
43 93.58 936
44 3.39 34
53 2.16 22
54 1.78 18
55 16.18 162
56 16.3 163
57 99.99 999
58 3.67 37
67 1.58 16
69 4.95 50
70 9.85 99
71 54.17 542
72 2.75 28
83 2.08 21
84 5.91 59
85 26.68 267
86 1.62 16
97 1.12 11
98 4.23 42
99 4.64 46
112 2 20
113 2.69 27
126 1.37 14
127 1.98 20
141 1.5 15
184 2.91 29
//