MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003693
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003693
RECORD_TITLE: TRIBUTYL BORATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TRIBUTYL BORATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H27BO3
CH$EXACT_MASS: 230.20533
CH$SMILES: CCCCO[B](OCCCC)OCCCC
CH$IUPAC: InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
CH$LINK: INCHIKEY
LGQXXHMEBUOXRP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9026184
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9100000000-6b2a87cfc4ea139a3acc
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 8 80
28 30 300
29 22 220
31 0.8 8
41 28 280
42 5 50
43 7 70
45 0.08 1
55 26 260
56 43 430
57 99.99 999
58 0.05 1
73 1 10
101 20 200
117 16 160
131 0.12 1
157 6 60
173 9 90
174 4 40
187 0.12 1
230 9 90
//
system version 2.2.6-SNAPSHOT