MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009282
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009282
RECORD_TITLE: BENZALDEHYDE BENZYL ISOPENTYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: BENZALDEHYDE BENZYL ISOPENTYL ACETAL
CH$NAME: BENZALDEHYDE BENZYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24O2
CH$EXACT_MASS: 284.17763
CH$SMILES: CC(C)CCOC(OCc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H24O2/c1-16(2)13-14-20-19(18-11-7-4-8-12-18)21-15-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3
CH$LINK: INCHIKEY
XFGJYOYWFTXAFO-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101588413
AC$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: splash10-0006-9200000000-9454d19949afa439e406
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 2.6 26
28 1.6 16
29 3.6 36
39 0.36 4
41 7.1 71
42 1.1 11
43 22 220
50 0.12 1
51 3.8 38
52 1 10
55 2.5 25
63 0.13 1
65 6.2 62
71 15.8 158
77 11.9 119
78 0.2 2
79 5 50
89 1.7 17
90 2.1 21
91 99.99 999
92 12.8 128
105 10.4 104
106 2 20
107 2.6 26
108 3 30
167 1.1 11
177 22.6 226
178 0.56 6
193 1.4 14
196 1.8 18
197 12.7 127
198 1.8 18
//
system version 2.2.4-SNAPSHOT