MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007001
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007001
RECORD_TITLE: P-CRESYL OCTANOATE; 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$NAME: P-CRESYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3
CH$LINK: INCHIKEY
ALRYNTSLFYRKGF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9052262
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$SPLASH: splash10-0a4i-5900000000-9a401aa2fda6f6734636
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 3.76 38
29 4.23 42
39 2.4 24
41 8.86 89
42 1.64 16
43 9.47 95
51 1.15 12
53 1.48 15
55 6.89 69
57 21.52 215
65 1.44 14
77 5.33 53
78 1.26 13
79 2.08 21
91 2.08 21
107 8.26 83
108 99.99 999
109 10.05 101
127 3.94 39
234 3.48 35
//
system version 2.2.6-SNAPSHOT