MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007193
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007193
RECORD_TITLE: PHENYLETHYL NONANOATE; 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$NAME: PHENYLETHYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H26O2
CH$EXACT_MASS: 262.19328
CH$SMILES: CCCCCCCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
CH$LINK: INCHIKEY
AFBMLGHBGGLHOF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60206647
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$SPLASH: splash10-0udi-3900000000-168e718f199c65b61cd6
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 2.18 22
39 1.65 17
41 5.17 52
42 1.3 13
43 5.94 59
51 1.24 12
55 3.16 32
57 5.85 59
65 1.42 14
71 4.08 41
77 2.5 25
78 1.66 17
79 2.79 28
91 4.43 44
92 1.25 13
103 2.38 24
104 99.99 999
105 26.53 265
106 1.91 19
141 2.21 22
//