MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008562
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008562
RECORD_TITLE: PHENYL BUTYRATE; 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$NAME: PHENYL BUTYRATE
CH$NAME: BUTYRIC ACID PHENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCCC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: INCHIKEY
IGVPBCZDHMIOJH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30195857
AC$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: splash10-0006-9000000000-1fad10cfe43dc1f09a35
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
26 1.15 12
27 15.55 156
28 1.88 19
29 1.74 17
38 2.68 27
39 23.51 235
40 2.47 25
41 15.34 153
42 2.91 29
43 71.6 716
44 1.99 20
50 1.75 18
51 5.91 59
55 7.51 75
63 2.9 29
64 1.48 15
65 15.33 153
66 7.18 72
70 2.24 22
71 48.57 486
72 1.86 19
77 8.87 89
93 1.61 16
94 99.99 999
95 8.07 81
164 15.74 157
165 1.5 15
//