MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005643
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005643
RECORD_TITLE: ISOPENTYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ISOPENTYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H18O2
CH$EXACT_MASS: 218.13068
CH$SMILES: CC(C)CCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+
CH$LINK: INCHIKEY
JFHCDEYLWGVZMX-CMDGGOBGSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-007k-4900000000-074350a668face7016d5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
29 3.62 36
41 5.24 52
42 11.8 118
43 20.28 203
55 27.9 279
56 1.02 10
57 1.01 10
69 7.88 79
70 99.99 999
71 7.62 76
77 10.03 100
78 1.01 10
81 4.06 41
91 2.19 22
102 5.98 60
103 56.24 562
104 13.16 132
105 2.64 26
115 4.08 41
120 3.66 37
131 97.68 977
132 14.08 141
133 1.01 10
146 16.4 164
147 41.23 412
148 69.56 696
149 64.72 647
150 5.68 57
175 1.18 12
218 9.7 97
219 1 10
//