MassBank Record: JP000254



 N-ACETYL-GLYCYL-VALYL-ALANINE METHYL ESTER; FD-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000254
RECORD_TITLE: N-ACETYL-GLYCYL-VALYL-ALANINE METHYL ESTER; FD-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-GLYCYL-VALYL-ALANINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H23N3O5 CH$EXACT_MASS: 301.16377 CH$SMILES: COC(=O)C([H])(C)NC(=O)C([H])(C(C)C)NC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C13H23N3O5/c1-7(2)11(16-10(18)6-14-9(4)17)12(19)15-8(3)13(20)21-5/h7-8,11H,6H2,1-5H3,(H,14,17)(H,15,19)(H,16,18)/t8-,11+/m0/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: FD-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-0319000000-f97d2fa4c4daceef5b07 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 53 2.39 24 55 2.39 24 57 3.66 37 65 1.69 17 85 1.26 13 95 3.24 32 114 3.8 38 115 2.53 25 132 1.12 11 142 4.65 47 143 24.4 244 151 2.96 30 154 1.83 18 161 4.79 48 169 3.38 34 171 29.33 293 172 3.38 34 176 1.55 16 181 3.94 39 216 6.48 65 222 1.55 16 223 2.25 23 224 5.5 55 229 3.24 32 230 2.96 30 232 1.83 18 241 2.25 23 242 2.39 24 244 1.69 17 248 2.82 28 276 1.55 16 284 10.43 104 286 2.39 24 298 1.41 14 300 2.11 21 301 97.03 970 302 99.99 999 303 25.93 259 315 11.7 117 316 8.6 86 317 4.51 45 340 1.41 14 343 2.25 23 355 1.26 13 368 1.83 18 381 2.11 21 388 1.12 11 401 4.93 49 461 1.41 14 472 2.39 24 473 1.69 17 486 1.83 18 488 1.12 11 491 1.55 16 510 2.11 21 545 1.83 18 558 1.97 20 601 1.12 11 602 3.1 31 603 7.47 75 604 4.51 45 //