MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009112
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009112
RECORD_TITLE: ACETALDEHYDE BENZYL PENTYL 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$NAME: ACETALDEHYDE BENZYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O2
CH$EXACT_MASS: 222.16198
CH$SMILES: CCCCCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H22O2/c1-3-4-8-11-15-13(2)16-12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
CH$LINK: INCHIKEY
YQAXOOYRJPMFQS-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-6fd392c4587c1285d87b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 4.88 49
29 5.86 59
31 1.11 11
39 4.78 48
41 7.94 79
42 2.4 24
43 21.35 214
44 1.08 11
45 9.81 98
51 1.96 20
55 2.96 30
63 1.13 11
65 8.68 87
71 21.83 218
72 1.04 10
77 3.4 34
78 1.05 11
79 2.13 21
89 1.66 17
90 2.57 26
91 99.99 999
92 19.96 200
105 1.86 19
107 1.49 15
108 1.44 14
115 3.53 35
133 2.82 28
134 19.57 196
135 6.38 64
//