MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006417
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006417
RECORD_TITLE: PHENYLETHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYLETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
CH$LINK: INCHIKEY
WFNDDSQUKATKNX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6047604
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$SPLASH: splash10-0udi-8900000000-8538af1bf42be4bf1d8e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 8.27 83
29 1.17 12
39 5.18 52
41 7.95 80
42 1.83 18
43 29.4 294
51 4.1 41
63 1.31 13
65 4.54 45
71 23.03 230
77 6.94 69
78 2.87 29
79 2.76 28
91 9.4 94
92 1.15 12
103 4.56 46
104 99.99 999
105 17.04 170
106 1.02 10
//