MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005652
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005652
RECORD_TITLE: CARBOBENZOXY-L-VALINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: CARBOBENZOXY-L-VALINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H17NO4
CH$EXACT_MASS: 251.11576
CH$SMILES: CC(C)C(C(O)=O)NC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
CH$LINK: INCHIKEY
CANZBRDGRHNSGZ-NSHDSACASA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9600000000-dc158aeaee5656a1cd13
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
41 1.41 14
43 3.27 33
55 1.33 13
56 1.29 13
65 2.67 27
70 1.17 12
72 2.21 22
74 2.18 22
77 1.86 19
79 5.5 55
90 1.68 17
91 99.99 999
92 9.99 100
98 2.42 24
101 4.8 48
107 14.26 143
108 49.6 496
110 3.64 36
116 6.64 66
162 13.74 137
163 1.57 16
206 3.03 30
251 4.53 45
252 0.7 7
//