MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010884
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010884
RECORD_TITLE: BUTYL 4-HYDROXYBENZOATE; 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$NAME: BUTYL 4-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
CH$LINK: INCHIKEY
QFOHBWFCKVYLES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020209
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$SPLASH: splash10-0079-3900000000-3c58d2a06f7053d6232c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 4.5 45
29 4 40
38 1.1 11
39 10.1 101
41 5.3 53
43 1.1 11
53 2 20
55 1.6 16
56 3.2 32
63 3.1 31
64 2.5 25
65 19.1 191
66 1.7 17
92 2.8 28
93 11.1 111
94 1.6 16
95 1.3 13
120 1.5 15
121 99.99 999
122 8.3 83
138 84 840
139 12.6 126
140 1.3 13
151 1 10
194 6.5 65
//