MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012172
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012172
RECORD_TITLE: DOCOSANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DOCOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H46
CH$EXACT_MASS: 310.35995
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
CH$LINK: CAS
629-97-0
CH$LINK: INCHIKEY
HOWGUJZVBDQJKV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047063
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0a4i-3329000000-6fea29f2d799a1ec5db7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
57 3.87 39
70 2.7 27
71 16.22 162
83 2.07 21
85 16.11 161
97 1.48 15
99 9.42 94
100 1.47 15
113 8.15 82
127 7.24 72
128 1.05 11
141 6.98 70
155 5.92 59
169 5.15 52
183 5.26 53
197 4.44 44
198 1.06 11
211 4.6 46
225 4.67 47
239 3.79 38
240 1.04 10
253 3.8 38
254 1.1 11
267 3.13 31
281 4.36 44
295 9.04 90
296 2.52 25
309 99.99 999
310 23.37 234
311 2.26 23
//
system version 2.2.6-SNAPSHOT