MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007079
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007079
RECORD_TITLE: PHENYLETHYL ISOVALERATE; 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$NAME: PHENYLETHYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: COMPTOX
DTXSID2059693
CH$LINK: INCHIKEY
JIMGVOCOYZFDKB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8792
AC$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: splash10-0udi-7900000000-baa61a546a03d2c7b7c3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 5.25 53
29 5.66 57
39 6.42 64
41 12.08 121
42 2.68 27
43 5.49 55
51 3.08 31
55 1.24 12
57 26.05 261
63 1.17 12
65 3.69 37
77 6.87 69
78 3.1 31
79 3.19 32
85 12.7 127
91 8.56 86
92 1.05 11
103 3.41 34
104 99.99 999
105 23.68 237
106 1.34 13
//