MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006416
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006416
RECORD_TITLE: P-CRESYL 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$NAME: P-CRESYL BUTYRATE
CH$NAME: 4-METHYLPHENYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCC(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY
RRXBRABFDRJAPX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90163279
AC$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-7900000000-bc4ffb81261319d176ea
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 10.69 107
29 1.24 12
39 6.69 67
41 8.33 83
42 1.53 15
43 30.44 304
50 1.47 15
51 4.23 42
52 2.34 23
53 2.39 24
55 1.71 17
63 1.46 15
65 2.32 23
71 11.58 116
77 10.67 107
78 3.42 34
79 4.59 46
80 1.94 19
90 1.46 15
91 3.64 36
107 18.29 183
108 99.99 999
109 8.85 89
178 7.37 74
//
system version 2.2.6-SNAPSHOT